[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-19(2)17-26-24(28)18-32-25(29)22-9-6-10-23(16-22)33(30,31)27-13-11-21(12-14-27)15-20-7-4-3-5-8-20/h3-10,16,19,21H,11-15,17-18H2,1-2H3,(H,26,28)