4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N4O4S/c1-23-14-18(12-19(23)20(22)26)30(28,29)25-10-7-16(8-11-25)21(27)24-9-6-15-4-2-3-5-17(15)13-24/h2-5,12,14,16H,6-11,13H2,1H3,(H2,22,26)