[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)CCCNC(=O)C2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)CCCNC(=O)C2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O5S2/c1-25(32(28,29)20-10-4-17(23)5-11-20)18-6-8-19(9-7-18)30-21(26)3-2-13-24-22(27)16-12-14-31-15-16/h4-12,14-15H,2-3,13H2,1H3,(H,24,27)