[2-(dimethylamino)-5-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)C

InChI

InChI=1S/C21H26N4O5S/c1-15-5-8-20(16(2)13-15)31(29,30)24-11-9-23(10-12-24)21(26)18-14-17(25(27)28)6-7-19(18)22(3)4/h5-8,13-14H,9-12H2,1-4H3