4-(methylsulfanyl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid

Formula: C15H21N3O7S2

SMILES: CSCCC(NC1=C(C=C(C=C1)S(=O)(=O)N1CCOCC1)[N+]([O-])=O)C(O)=O

IUPAC: 4-(methylsulfanyl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid

InChI: InChI=1/C15H21N3O7S2/c1-26-9-4-13(15(19)20)16-12-3-2-11(10-14(12)18(21)22)27(23,24)17-5-7-25-8-6-17/h2-3,10,13,16H,4-9H2,1H3,(H,19,20)

Composition: C (42.95%), H (5.05%), N (10.02%), O (26.70%), S (15.29%)

Molar Mass: 419.47

Atom Count: 48

Heavy Atom Count: 27