[2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]benzyl]-cyclohexyl-methyl-ammonium Formula: C22H30BrN2O4S+ MolecularWeight: 498.4536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br)C3CCCCC3

InChI

InChI=1S/C22H29BrN2O4S/c1-25(17-10-5-4-6-11-17)15-16-9-7-8-12-19(16)24-30(26,27)22-14-21(29-3)20(28-2)13-18(22)23/h7-9,12-14,17,24H,4-6,10-11,15H2,1-3H3/p+1