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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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