2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C25H29N5O4S/c1-18(31)27-19-6-8-20(9-7-19)35(33,34)29(2)17-25(32)28-23-10-11-24(30-14-4-3-5-15-30)21-12-13-26-16-22(21)23/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,27,31)(H,28,32)