[4-(dimethylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])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)17-6-7-18(22(3)4)19(14-17)25(27)28/h5-8,13-14H,9-12H2,1-4H3