1-[3-(4-cyanophenyl)propanoyl]-N-(phenylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

Systemtic Name: 1-[3-(4-cyanophenyl)propanoyl]-N-(phenylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide Openeye Name: N-benzyl-1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide CAS Name: 1-[3-(4-cyanophenyl)-1-oxopropyl]-N-(phenylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide IUPAC Name: N-benzyl-1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Traditional Name: N-benzyl-1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N3O3S/c27-18-21-10-8-20(9-11-21)12-15-26(30)29-16-4-7-23-17-24(13-14-25(23)29)33(31,32)28-19-22-5-2-1-3-6-22/h1-3,5-6,8-11,13-14,17,28H,4,7,12,15-16,19H2