(3-methyl-4-nitro-phenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-(3-pyridylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-(3-pyridylsulfonyl)piperazino]methanone Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-13-11-14(4-5-16(13)21(23)24)17(22)19-7-9-20(10-8-19)27(25,26)15-3-2-6-18-12-15/h2-6,11-12H,7-10H2,1H3