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5-[3-[methylsulfonyl-[2-(phenylmethylsulfanyl)ethyl]amino]propyl]thiophene-2-carboxylic acid
5-[3-[methylsulfonyl-[2-(phenylmethylsulfanyl)ethyl]amino]propyl]thiophene-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCSCC2=CC=CC=C2
Isomeric SMILES
CS(=O)(=O)N(CCCC1=CC=C(S1)C(=O)O)CCSCC2=CC=CC=C2
InChI
InChI=1S/C18H23NO4S3/c1-26(22,23)19(12-13-24-14-15-6-3-2-4-7-15)11-5-8-16-9-10-17(25-16)18(20)21/h2-4,6-7,9-10H,5,8,11-14H2,1H3,(H,20,21)
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