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

Systemtic Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-29-21(24)18-8-6-17(7-9-18)16-30(25,26)22-19-10-12-20(13-11-19)31(27,28)23-14-4-2-3-5-15-23/h6-13,22H,2-5,14-16H2,1H3