(3-bromanyl-4-methoxy-phenyl)sulfonyl-[2-[[cyclohexyl(methyl)azaniumyl]methyl]phenyl]azanide

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)sulfonyl-[2-[[cyclohexyl(methyl)azaniumyl]methyl]phenyl]azanide Openeye Name: (3-bromo-4-methoxy-phenyl)sulfonyl-[2-[[cyclohexyl(methyl)ammonio]methyl]phenyl]azanide CAS Name: (3-bromo-4-methoxyphenyl)sulfonyl-[2-[[cyclohexyl(methyl)ammonio]methyl]phenyl]azanide IUPAC Name: (3-bromo-4-methoxyphenyl)sulfonyl-[2-[[cyclohexyl(methyl)azaniumyl]methyl]phenyl]azanide Traditional Name: (3-bromo-4-methoxy-phenyl)sulfonyl-[2-[[cyclohexyl(methyl)ammonio]methyl]phenyl]azanide Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1[N-]S(=O)(=O)C2=CC(=C(C=C2)OC)Br)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1[N-]S(=O)(=O)C2=CC(=C(C=C2)OC)Br)C3CCCCC3

InChI

InChI=1S/C21H26BrN2O3S/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/h6-8,11-14,17H,3-5,9-10,15H2,1-2H3/q-1/p+1