N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazine-2-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazine-2-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazine-2-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyrazinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrazine-2-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazinamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC=CN=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC=CN=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c25-20(19-13-21-9-10-22-19)23-17-7-6-15-8-11-24(14-16(15)12-17)28(26,27)18-4-2-1-3-5-18/h1-7,9-10,12-13H,8,11,14H2,(H,23,25)