3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]benzamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H24N4O3S2/c1-25-13-10-24-22(25)30-14-11-23-21(27)18-7-4-8-20(15-18)31(28,29)26-12-9-17-5-2-3-6-19(17)16-26/h2-8,10,13,15H,9,11-12,14,16H2,1H3,(H,23,27)