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

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: (3-nitrophenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: (3-nitrophenyl)-(4-tosylpiperazino)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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