[2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[4-(3,5-dimethylpiperidino)sulfonylanilino]-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CCC(C)C)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)CCC(C)C)C

InChI

InChI=1S/C21H32N2O5S/c1-15(2)5-10-21(25)28-14-20(24)22-18-6-8-19(9-7-18)29(26,27)23-12-16(3)11-17(4)13-23/h6-9,15-17H,5,10-14H2,1-4H3,(H,22,24)