4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methyl-hexyl]thiophen-2-yl]butanoic acid

Systemtic Name: 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methyl-hexyl]thiophen-2-yl]butanoic acid Openeye Name: 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methyl-hexyl]-2-thienyl]butanoic acid CAS Name: 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]-2-thiophenyl]butanoic acid IUPAC Name: 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]thiophen-2-yl]butanoic acid Traditional Name: 4-[5-[1-[(4-chlorophenyl)sulfonylamino]-5-methyl-hexyl]-2-thienyl]butyric acid Formula: C21H28ClNO4S2 MolecularWeight: 458.03432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C1=CC=C(S1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCCC(C1=CC=C(S1)CCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO4S2/c1-15(2)5-3-7-19(20-14-11-17(28-20)6-4-8-21(24)25)23-29(26,27)18-12-9-16(22)10-13-18/h9-15,19,23H,3-8H2,1-2H3,(H,24,25)