[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

InChI

InChI=1S/C20H30N2O5S/c1-4-7-15(2)21-19(23)14-27-20(24)17-9-11-18(12-10-17)28(25,26)22-13-6-5-8-16(22)3/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,21,23)