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

Systemtic Name: methyl 2-azanyl-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-2-methyl-propanoate Openeye Name: methyl 2-amino-3-[4,5-dimethyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-2-methyl-propanoate CAS Name: 2-amino-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-2-methylpropanoate Traditional Name: 2-amino-3-(4,5-dimethyl-1-tosyl-pyrrol-3-yl)-2-methyl-propionic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-12-6-8-16(9-7-12)25(22,23)20-11-15(13(2)14(20)3)10-18(4,19)17(21)24-5/h6-9,11H,10,19H2,1-5H3