2-azanyl-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-2-methyl-propanoic acid Openeye Name: 2-amino-3-[4,5-dimethyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-2-methyl-propanoic acid CAS Name: 2-amino-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-2-methylpropanoic acid IUPAC Name: 2-amino-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-2-methylpropanoic acid Traditional Name: 2-amino-3-(4,5-dimethyl-1-tosyl-pyrrol-3-yl)-2-methyl-propionic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C)C)CC(C)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C)C)CC(C)(C(=O)O)N

InChI

InChI=1S/C17H22N2O4S/c1-11-5-7-15(8-6-11)24(22,23)19-10-14(12(2)13(19)3)9-17(4,18)16(20)21/h5-8,10H,9,18H2,1-4H3,(H,20,21)