2-[3-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)indol-2-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)indol-2-yl]ethanoic acid Openeye Name: 2-[1-benzyl-3-(p-tolylsulfonylmethyl)indol-2-yl]acetic acid CAS Name: 2-[3-[(4-methylphenyl)sulfonylmethyl]-1-(phenylmethyl)-2-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-3-[(4-methylphenyl)sulfonylmethyl]indol-2-yl]acetic acid Traditional Name: 2-[1-benzyl-3-(tosylmethyl)indol-2-yl]acetic acid Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H23NO4S/c1-18-11-13-20(14-12-18)31(29,30)17-22-21-9-5-6-10-23(21)26(24(22)15-25(27)28)16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,28)