[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N2CCC(CC2)C)C)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N2CCC(CC2)C)C)C

InChI

InChI=1S/C21H32N2O5S/c1-6-16(4)22-20(24)13-28-21(25)18-11-15(3)17(5)19(12-18)29(26,27)23-9-7-14(2)8-10-23/h11-12,14,16H,6-10,13H2,1-5H3,(H,22,24)