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

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenyl] ethanesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(isopropylamino)-3-oxo-prop-1-enyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[(E)-2-benzamido-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[(E)-2-benzamido-3-(isopropylamino)-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=C(C(=O)NC(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-4-29(26,27)28-18-12-10-16(11-13-18)14-19(21(25)22-15(2)3)23-20(24)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,22,25)(H,23,24)/b19-14+