methyl 2-[(2-methylphenyl)-[2-(phenylmethyl)sulfonylethyl]amino]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(2-methylphenyl)-[2-(phenylmethyl)sulfonylethyl]amino]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[N-(2-benzylsulfonylethyl)-2-methyl-anilino]-3-oxo-butanoate CAS Name: 2-[2-methyl-N-[2-(phenylmethyl)sulfonylethyl]anilino]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[N-(2-benzylsulfonylethyl)-2-methylanilino]-3-oxobutanoate Traditional Name: 2-[N-(2-benzylsulfonylethyl)-2-methyl-anilino]-3-keto-butyric acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCS(=O)(=O)CC2=CC=CC=C2)C(C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N(CCS(=O)(=O)CC2=CC=CC=C2)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C21H25NO5S/c1-16-9-7-8-12-19(16)22(20(17(2)23)21(24)27-3)13-14-28(25,26)15-18-10-5-4-6-11-18/h4-12,20H,13-15H2,1-3H3