(3R)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C21H18N4O4S2/c26-20(22-15-7-8-16-17(11-15)24-21(27)23-16)18-10-13-4-1-2-5-14(13)12-25(18)31(28,29)19-6-3-9-30-19/h1-9,11,18H,10,12H2,(H,22,26)(H2,23,24,27)/t18-/m1/s1