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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-2-29-21(24)17-7-11-19(12-8-17)30(25,26)22-18-9-13-20(14-10-18)31(27,28)23-15-5-3-4-6-16-23/h7-14,22H,2-6,15-16H2,1H3