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

Systemtic Name: [2-[(3-bromanyl-4-methoxy-phenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[(3-bromo-4-methoxyphenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[(3-bromo-4-methoxyphenyl)sulfonylamino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[(3-bromo-4-methoxy-phenyl)sulfonylamino]benzyl]-cyclohexyl-methyl-ammonium Formula: C21H28BrN2O3S+ MolecularWeight: 468.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3S/c1-24(17-9-4-3-5-10-17)15-16-8-6-7-11-20(16)23-28(25,26)18-12-13-21(27-2)19(22)14-18/h6-8,11-14,17,23H,3-5,9-10,15H2,1-2H3/p+1