2,4-dimethyl-5-[3-(2-methylpropylsulfanyl)propanoylamino]benzenesulfonic acid

Systemtic Name: 2,4-dimethyl-5-[3-(2-methylpropylsulfanyl)propanoylamino]benzenesulfonic acid Openeye Name: 5-(3-isobutylsulfanylpropanoylamino)-2,4-dimethyl-benzenesulfonic acid CAS Name: 2,4-dimethyl-5-[[3-(2-methylpropylthio)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 2,4-dimethyl-5-[3-(2-methylpropylsulfanyl)propanoylamino]benzenesulfonic acid Traditional Name: 5-[3-(isobutylthio)propanoylamino]-2,4-dimethyl-besylic acid Formula: C15H23NO4S2 MolecularWeight: 345.47742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CCSCC(C)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CCSCC(C)C)S(=O)(=O)O)C

InChI

InChI=1S/C15H23NO4S2/c1-10(2)9-21-6-5-15(17)16-13-8-14(22(18,19)20)12(4)7-11(13)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)(H,18,19,20)