N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: 2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]-N-p-phenetyl-acetamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C25H29N3O5S/c1-3-33-20-10-8-19(9-11-20)26-24(29)17-27-16-23(21-6-4-5-7-22(21)25(27)30)34(31,32)28-14-12-18(2)13-15-28/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,26,29)