(3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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