4-[3-oxidanylidene-3-[6-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanylidene-3-[6-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarbonitrile Openeye Name: 4-[3-[6-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[6-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[6-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-(6-besyl-3,4-dihydro-2H-quinolin-1-yl)-3-keto-propyl]benzonitrile Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N2O3S/c26-18-20-10-8-19(9-11-20)12-15-25(28)27-16-4-5-21-17-23(13-14-24(21)27)31(29,30)22-6-2-1-3-7-22/h1-3,6-11,13-14,17H,4-5,12,15-16H2