methyl 3-{[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]carbamoyl}-5-nitrobenzoate

methyl 3-{[4-(4-methylpiperidin-1-ylsulfonyl)phenyl]carbamoyl}-5-nitrobenzoate

Formula: C21H23N3O7S

SMILES: COC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCC(C)CC1

IUPAC: methyl 3-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}carbamoyl)-5-nitrobenzoate

InChI: InChI=1S/C21H23N3O7S/c1-14-7-9-23(10-8-14)32(29,30)19-5-3-17(4-6-19)22-20(25)15-11-16(21(26)31-2)13-18(12-15)24(27)28/h3-6,11-14H,7-10H2,1-2H3,(H,22,25)

Composition: C (54.66%), H (5.02%), N (9.11%), O (24.27%), S (6.95%)

Molar Mass: 461.49

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.125671267
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	CTQWUJMIRDIDKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.58
Topological Polar Surface Area	135.92
Polarizability	44.94
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H23N3O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00