2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H27ClN4O5S MolecularWeight: 494.99158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H27ClN4O5S/c1-16-4-6-20(12-17(16)2)33(31,32)26-10-8-25(9-11-26)22(28)15-24(3)14-18-13-19(27(29)30)5-7-21(18)23/h4-7,12-13H,8-11,14-15H2,1-3H3