4-[(4-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-p-anisyl-N-(4-sulfamoylphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H26N4O4S/c1-28-18-7-3-16(4-8-18)15-23-11-2-12-24(14-13-23)20(25)22-17-5-9-19(10-6-17)29(21,26)27/h3-10H,2,11-15H2,1H3,(H,22,25)(H2,21,26,27)/p+1