[4-[(E)-3-[benzamido(propan-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethanesulfonate

Systemtic Name: [4-[(E)-3-[benzamido(propan-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] ethanesulfonate Openeye Name: [4-[(E)-3-[benzamido(isopropyl)amino]-3-oxo-prop-1-enyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[(E)-3-[benzamido(propan-2-yl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-[benzamido(propan-2-yl)amino]-3-oxoprop-1-enyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[(E)-3-[benzamido(isopropyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)C=CC(=O)N(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)/C=C/C(=O)N(C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-4-29(26,27)28-19-13-10-17(11-14-19)12-15-20(24)23(16(2)3)22-21(25)18-8-6-5-7-9-18/h5-16H,4H2,1-3H3,(H,22,25)/b15-12+