2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoic acid Openeye Name: 2-[2-acetamido-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-1-yl]acetic acid CAS Name: 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-pyrrolyl]acetic acid IUPAC Name: 2-[2-acetamido-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-1-yl]acetic acid Traditional Name: 2-(2-acetamido-4,5-dimethyl-3-tosyl-pyrrol-1-yl)acetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC(=O)O)NC(=O)C

InChI

InChI=1S/C17H20N2O5S/c1-10-5-7-14(8-6-10)25(23,24)16-11(2)12(3)19(9-15(21)22)17(16)18-13(4)20/h5-8H,9H2,1-4H3,(H,18,20)(H,21,22)