(4-methyl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(4-methyl-3-nitro-phenyl)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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