methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O6S2/c1-28-20(23)16-6-10-18(11-7-16)29(24,25)21-17-8-12-19(13-9-17)30(26,27)22-14-4-2-3-5-15-22/h6-13,21H,2-5,14-15H2,1H3