N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SCCC#N

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SCCC#N

InChI

InChI=1S/C25H23N3O3S2/c26-16-6-18-32-24-11-4-2-9-22(24)27-25(29)20-12-14-21(15-13-20)33(30,31)28-17-5-8-19-7-1-3-10-23(19)28/h1-4,7,9-15H,5-6,8,17-18H2,(H,27,29)