2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[(4-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(4-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O

InChI

InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22)