methyl 4-[(E)-3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)anilino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylanilino)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(4-pyrrolidinosulfonylanilino)prop-1-enyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H22N2O5S/c1-28-21(25)17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)29(26,27)23-14-2-3-15-23/h4-13H,2-3,14-15H2,1H3,(H,22,24)/b13-6+