3-phenylpropyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5S/c1-29(21-23-11-6-3-7-12-23)35(32,33)25-16-14-24(15-17-25)28-26(30)18-19-27(31)34-20-8-13-22-9-4-2-5-10-22/h2-7,9-12,14-17H,8,13,18-21H2,1H3,(H,28,30)