[4-[[(2-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[(2-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[[(2-chlorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[(2-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CCOC)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CN(CCOC)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-18(29)27-20-9-13-22(14-10-20)35(31,32)34-21-11-7-19(8-12-21)17-28(15-16-33-2)25(30)23-5-3-4-6-24(23)26/h3-14H,15-17H2,1-2H3,(H,27,29)