(2-methyl-3-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-(4-tosylpiperazino)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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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-])C

Isomeric SMILES

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

InChI

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