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

Systemtic Name: 3-[4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N2O7S2/c1-2-30-19-11-8-17(15-20(19)32(28,29)23-13-3-4-14-23)22-31(26,27)18-9-5-16(6-10-18)7-12-21(24)25/h5-6,8-11,15,22H,2-4,7,12-14H2,1H3,(H,24,25)