2-acetamido-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid Openeye Name: 2-acetamido-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoic acid CAS Name: 2-acetamido-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 2-acetamido-3-(1-tosylindol-3-yl)propionic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C20H20N2O5S/c1-13-7-9-16(10-8-13)28(26,27)22-12-15(17-5-3-4-6-19(17)22)11-18(20(24)25)21-14(2)23/h3-10,12,18H,11H2,1-2H3,(H,21,23)(H,24,25)