cyclohexyl-[[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]phenyl]methyl]-methyl-azanium chloride

Systemtic Name: cyclohexyl-[[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]phenyl]methyl]-methyl-azanium chloride Openeye Name: cyclohexyl-[[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]phenyl]methyl]-methyl-ammonium chloride CAS Name: cyclohexyl-[[2-[(4-methoxy-3-nitrophenyl)sulfonylamino]phenyl]methyl]-methylammonium chloride IUPAC Name: cyclohexyl-[[2-[(4-methoxy-3-nitrophenyl)sulfonylamino]phenyl]methyl]-methylazanium chloride Traditional Name: cyclohexyl-[2-[(4-methoxy-3-nitro-phenyl)sulfonylamino]benzyl]-methyl-ammonium chloride Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3CCCCC3.[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3CCCCC3.[Cl-]

InChI

InChI=1S/C21H27N3O5S.ClH/c1-23(17-9-4-3-5-10-17)15-16-8-6-7-11-19(16)22-30(27,28)18-12-13-21(29-2)20(14-18)24(25)26;/h6-8,11-14,17,22H,3-5,9-10,15H2,1-2H3;1H