[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C27H33N3O6S MolecularWeight: 527.63242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H33N3O6S/c1-19-6-5-14-29(17-19)26(32)18-36-27(33)16-25-24-8-4-3-7-21(24)13-15-30(25)37(34,35)23-11-9-22(10-12-23)28-20(2)31/h3-4,7-12,19,25H,5-6,13-18H2,1-2H3,(H,28,31)