[5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [5-bromanyl-2-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [5-bromo-2-(2-thienylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [5-bromo-2-(2-thenyloxy)benzyl]-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C20H22BrN2O3S2+ MolecularWeight: 482.43428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CSC(=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H21BrN2O3S2/c21-17-5-8-20(26-14-18-2-1-11-27-18)16(12-17)13-23-10-9-15-3-6-19(7-4-15)28(22,24)25/h1-8,11-12,23H,9-10,13-14H2,(H2,22,24,25)/p+1