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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C20H22N4O3S/c1-13(19-22-16-7-3-4-8-17(16)23-19)21-20(25)15-9-10-18-14(12-15)6-5-11-24(18)28(2,26)27/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H,21,25)(H,22,23)/t13-/m0/s1