(5-methyl-2-oxidanyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-methyl-2-oxidanyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-hydroxy-5-methylphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-13-5-6-17(22)16(11-13)18(23)19-7-9-20(10-8-19)28(26,27)15-4-2-3-14(12-15)21(24)25/h2-6,11-12,22H,7-10H2,1H3