ethanesulfonic acid; methyl 2-hydroxy-3-[(E)-({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}imino)(phenyl)methyl]-1H-indole-6-carboxylate

CAS: 656247-18-6

Formula: C33H39N5O7S

SMILES: CCS(O)(=O)=O.COC(=O)C1=CC=C2C(NC(O)=C2C(=NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1

IUPAC: ethanesulfonic acid; methyl 2-hydroxy-3-[(E)-({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}imino)(phenyl)methyl]-1H-indole-6-carboxylate

InChI: InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,33,38H,15-18,20H2,1-3H3;2H2,1H3,(H,3,4,5)/b32-29+;

Composition: C (61.00%), H (6.05%), N (10.78%), O (17.24%), S (4.93%)

Molar Mass: 649.76

Atom Count: 85

Heavy Atom Count: 46