4-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide

Systemtic Name: 4-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide Openeye Name: 4-[(4R)-2-amino-3-cyano-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide CAS Name: 4-[(4R)-2-amino-3-cyano-7,7-dimethyl-4-[4-(methylthio)phenyl]-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide IUPAC Name: 4-[(4R)-2-amino-3-cyano-7,7-dimethyl-4-(4-methylsulfanylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide Traditional Name: 4-[(4R)-2-amino-3-cyano-5-keto-7,7-dimethyl-4-[4-(methylthio)phenyl]-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC=C(C=C4)SC)C(=O)C1)C

InChI

InChI=1S/C25H26N4O3S2/c1-25(2)12-20-23(21(30)13-25)22(15-4-8-17(33-3)9-5-15)19(14-26)24(27)29(20)16-6-10-18(11-7-16)34(28,31)32/h4-11,22H,12-13,27H2,1-3H3,(H2,28,31,32)/t22-/m1/s1