[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(4-nitrophenyl)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-14-3-8-18(13-15(14)2)28(26,27)21-11-9-20(10-12-21)19(23)16-4-6-17(7-5-16)22(24)25/h3-8,13H,9-12H2,1-2H3