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

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-(5-piperidin-1-ylisoquinolin-8-yl)ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[5-(1-piperidyl)-8-isoquinolyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-N-[5-(1-piperidinyl)-8-isoquinolinyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-(5-piperidino-8-isoquinolyl)acetamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN(CC(=O)NC1=C2C=NC=CC2=C(C=C1)N3CCCCC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-25(31(28,29)21-8-7-19(22)30-21)14-20(27)24-17-5-6-18(26-11-3-2-4-12-26)15-9-10-23-13-16(15)17/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,27)