5-[3-[2-(phenylmethylsulfanyl)ethyl-pyridin-3-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(phenylmethylsulfanyl)ethyl-pyridin-3-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-benzylsulfanylethyl(3-pyridylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(phenylmethylthio)ethyl-(3-pyridinylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-benzylsulfanylethyl(pyridin-3-ylsulfonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(benzylthio)ethyl-(3-pyridylsulfonyl)amino]propyl]-2-thenoic acid Formula: C22H24N2O4S3 MolecularWeight: 476.63196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCCN(CCCC2=CC=C(S2)C(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H24N2O4S3/c25-22(26)21-11-10-19(30-21)8-5-13-24(31(27,28)20-9-4-12-23-16-20)14-15-29-17-18-6-2-1-3-7-18/h1-4,6-7,9-12,16H,5,8,13-15,17H2,(H,25,26)