N-(1H-benzimidazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O3S/c1-2-27(25,26)23-12-14-8-4-3-7-13(14)11-17(23)18(24)22-19-20-15-9-5-6-10-16(15)21-19/h3-10,17H,2,11-12H2,1H3,(H2,20,21,22,24)