[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27N3O6S/c1-14-6-7-16(12-17(14)29(26,27)22-10-4-3-5-11-22)21-18(24)13-28-19(25)8-9-20-15(2)23/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,20,23)(H,21,24)