N-[(3S)-6-cyano-1-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

Systemtic Name: N-[(3S)-6-cyano-1-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide Openeye Name: N-[(3S)-6-cyano-1-(4-pyridylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide CAS Name: N-[(3S)-6-cyano-1-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide IUPAC Name: N-[(3S)-6-cyano-1-(pyridin-4-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide Traditional Name: N-[(3S)-6-cyano-1-(4-pyridylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C2=C1C=C(C=C2)C#N)CC3=CC=NC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CN(C2=C1C=C(C=C2)C#N)CC3=CC=NC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c23-14-18-6-7-22-19(12-18)13-20(16-26(22)15-17-8-10-24-11-9-17)25-29(27,28)21-4-2-1-3-5-21/h1-12,20,25H,13,15-16H2/t20-/m0/s1