ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[3-(1-azepanylsulfonyl)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[3-(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(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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