4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]-N-oxidanidyl-cyclohexane-1-carboxamide Openeye Name: 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonyl-amino]methyl]-N-oxido-cyclohexanecarboxamide CAS Name: 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]-N-oxido-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]-N-oxidocyclohexane-1-carboxamide Traditional Name: 4-[[(3-nitrophenyl)sulfonyl-p-anisyl-amino]methyl]-N-oxido-cyclohexanecarboxamide Formula: C22H26N3O7S- MolecularWeight: 476.52274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)N[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)N[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N3O7S/c1-32-20-11-7-17(8-12-20)15-24(14-16-5-9-18(10-6-16)22(26)23-27)33(30,31)21-4-2-3-19(13-21)25(28)29/h2-4,7-8,11-13,16,18H,5-6,9-10,14-15H2,1H3,(H-,23,26,27)/q-1