[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-4-17(5-2)21-19(23)14-27-20(24)16-6-8-18(9-7-16)28(25,26)22-12-10-15(3)11-13-22/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,21,23)