2-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[5-(1-piperidyl)-8-isoquinolyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[5-(1-piperidinyl)-8-isoquinolinyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-(5-piperidino-8-isoquinolyl)-5-pyrrolidinosulfonyl-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C4C=NC=CC4=C(C=C3)N5CCCCC5

InChI

InChI=1S/C26H30N4O3S/c1-19-7-8-20(34(32,33)30-15-5-6-16-30)17-22(19)26(31)28-24-9-10-25(29-13-3-2-4-14-29)21-11-12-27-18-23(21)24/h7-12,17-18H,2-6,13-16H2,1H3,(H,28,31)