ethyl 1-[2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetyl]nipecotic acid ethyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C25H33N3O6S/c1-3-34-25(31)19-7-6-12-26(15-19)23(29)17-27-16-22(20-8-4-5-9-21(20)24(27)30)35(32,33)28-13-10-18(2)11-14-28/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3