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

Systemtic Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-yl-methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-thienyl)methyl]phenyl]butanoate CAS Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-ylmethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-thiophen-2-ylmethyl]phenyl]butanoate Traditional Name: 4-[4-[[(4-chlorophenyl)sulfonylamino]-(2-thienyl)methyl]phenyl]butyric acid methyl ester Formula: C22H22ClNO4S2 MolecularWeight: 463.99738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO4S2/c1-28-21(25)6-2-4-16-7-9-17(10-8-16)22(20-5-3-15-29-20)24-30(26,27)19-13-11-18(23)12-14-19/h3,5,7-15,22,24H,2,4,6H2,1H3