methyl 2-[(4-methylphenyl)-[2-(phenylsulfonyl)ethyl]amino]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(4-methylphenyl)-[2-(phenylsulfonyl)ethyl]amino]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[N-[2-(benzenesulfonyl)ethyl]-4-methyl-anilino]-3-oxo-butanoate CAS Name: 2-[N-[2-(benzenesulfonyl)ethyl]-4-methylanilino]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[N-[2-(benzenesulfonyl)ethyl]-4-methylanilino]-3-oxobutanoate Traditional Name: 2-[N-(2-besylethyl)-4-methyl-anilino]-3-keto-butyric acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCS(=O)(=O)C2=CC=CC=C2)C(C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCS(=O)(=O)C2=CC=CC=C2)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C20H23NO5S/c1-15-9-11-17(12-10-15)21(19(16(2)22)20(23)26-3)13-14-27(24,25)18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3