(5-chloranyl-2-oxidanyl-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2-hydroxy-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-2-hydroxyphenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-hydroxyphenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chloro-2-hydroxy-phenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-29-17-5-3-13(11-15(17)22(25)26)30(27,28)21-8-6-20(7-9-21)18(24)14-10-12(19)2-4-16(14)23/h2-5,10-11,23H,6-9H2,1H3