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

Systemtic Name: ethyl 2-[2-azanyl-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-1-yl]acetate CAS Name: 2-[2-amino-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-1-yl]acetate Traditional Name: 2-(2-amino-4,5-dimethyl-3-tosyl-pyrrol-1-yl)acetic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=C1N)S(=O)(=O)C2=CC=C(C=C2)C)C)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=C1N)S(=O)(=O)C2=CC=C(C=C2)C)C)C

InChI

InChI=1S/C17H22N2O4S/c1-5-23-15(20)10-19-13(4)12(3)16(17(19)18)24(21,22)14-8-6-11(2)7-9-14/h6-9H,5,10,18H2,1-4H3