2-[(4-benzamidophenyl)sulfonylmethyl]-3-thiophen-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-thiophen-2-ylsulfanyl-propanoic acid Openeye Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(2-thienylsulfanyl)propanoic acid CAS Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(thiophen-2-ylthio)propanoic acid IUPAC Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-thiophen-2-ylsulfanylpropanoic acid Traditional Name: 2-[(4-benzamidophenyl)sulfonylmethyl]-3-(2-thienylthio)propionic acid Formula: C21H19NO5S3 MolecularWeight: 461.57426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H19NO5S3/c23-20(15-5-2-1-3-6-15)22-17-8-10-18(11-9-17)30(26,27)14-16(21(24)25)13-29-19-7-4-12-28-19/h1-12,16H,13-14H2,(H,22,23)(H,24,25)