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

Systemtic Name: (4-methoxy-2-oxidanyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-hydroxy-4-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-hydroxy-4-methoxyphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-hydroxy-4-methoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-hydroxy-4-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O7S/c1-28-14-5-6-16(17(22)12-14)18(23)19-7-9-20(10-8-19)29(26,27)15-4-2-3-13(11-15)21(24)25/h2-6,11-12,22H,7-10H2,1H3