3-[(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzonitrile IUPAC Name: 3-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile Traditional Name: 3-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N3O3S/c22-15-16-5-3-6-18(13-16)21(25)24-12-4-7-17-14-19(8-9-20(17)24)28(26,27)23-10-1-2-11-23/h3,5-6,8-9,13-14H,1-2,4,7,10-12H2