3-[4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-(1-azepanylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(azepan-1-ylsulfonyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H26N2O6S2/c24-21(25)14-7-17-5-10-19(11-6-17)30(26,27)22-18-8-12-20(13-9-18)31(28,29)23-15-3-1-2-4-16-23/h5-6,8-13,22H,1-4,7,14-16H2,(H,24,25)