methyl 2-[(4-methoxyphenyl)-[2-(phenylmethyl)sulfonylethyl]amino]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)-[2-(phenylmethyl)sulfonylethyl]amino]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[N-(2-benzylsulfonylethyl)-4-methoxy-anilino]-3-oxo-butanoate CAS Name: 2-[4-methoxy-N-[2-(phenylmethyl)sulfonylethyl]anilino]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[N-(2-benzylsulfonylethyl)-4-methoxyanilino]-3-oxobutanoate Traditional Name: 2-[N-(2-benzylsulfonylethyl)-4-methoxy-anilino]-3-keto-butyric acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-16(23)20(21(24)28-3)22(18-9-11-19(27-2)12-10-18)13-14-29(25,26)15-17-7-5-4-6-8-17/h4-12,20H,13-15H2,1-3H3