(2-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(3-nitrophenyl)sulfonylpiperazino]-(o-tolyl)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-14-5-2-3-8-17(14)18(22)19-9-11-20(12-10-19)27(25,26)16-7-4-6-15(13-16)21(23)24/h2-8,13H,9-12H2,1H3