1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Formula: C23H27FN2O4S MolecularWeight: 446.534883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H27FN2O4S/c1-17-4-5-19(16-18(17)2)22(27)10-11-23(28)25-12-3-13-26(15-14-25)31(29,30)21-8-6-20(24)7-9-21/h4-9,16H,3,10-15H2,1-2H3