N-[[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-thienyl]methyl]acetamide CAS Name: N-[[5-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]-2-thienyl]methyl]acetamide Formula: C19H25N3O5S3 MolecularWeight: 471.6139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O5S3/c1-15(23)20-14-17-8-11-19(28-17)29(24,25)21-16-6-9-18(10-7-16)30(26,27)22-12-4-2-3-5-13-22/h6-11,21H,2-5,12-14H2,1H3,(H,20,23)