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

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15(2)7-10-20(24)27-14-19(23)21-17-9-8-16(3)18(13-17)28(25,26)22-11-5-4-6-12-22/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,23)