N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c1-29(27,28)25-13-4-6-16-14-17(9-10-19(16)25)21(26)22-11-5-12-24-15-23-18-7-2-3-8-20(18)24/h2-3,7-10,14-15H,4-6,11-13H2,1H3,(H,22,26)