4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-yl-methyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-yl-methyl]phenyl]butanoic acid Openeye Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-thienyl)methyl]phenyl]butanoic acid CAS Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-ylmethyl]phenyl]butanoic acid IUPAC Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-ylmethyl]phenyl]butanoic acid Traditional Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-thienyl)methyl]phenyl]butyric acid Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)C(C2=CC=C(C=C2)CCCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO4S2/c22-17-10-12-18(13-11-17)29(26,27)23-21(19-4-2-14-28-19)16-8-6-15(7-9-16)3-1-5-20(24)25/h2,4,6-14,21,23H,1,3,5H2,(H,24,25)