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

Systemtic Name: (6-methylpyridin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-methyl-3-pyridyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-methyl-3-pyridinyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-methylpyridin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-methyl-3-pyridyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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