ethyl 2-[(4-methylphenyl)sulfonyl-(2-pyrrol-1-ylphenyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonyl-(2-pyrrol-1-ylphenyl)amino]ethanoate Openeye Name: ethyl 2-[N-(p-tolylsulfonyl)-2-pyrrol-1-yl-anilino]acetate CAS Name: 2-[N-(4-methylphenyl)sulfonyl-2-(1-pyrrolyl)anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-(N-(4-methylphenyl)sulfonyl-2-pyrrol-1-ylanilino)acetate Traditional Name: 2-(2-pyrrol-1-yl-N-tosyl-anilino)acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1N2C=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1N2C=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-3-27-21(24)16-23(28(25,26)18-12-10-17(2)11-13-18)20-9-5-4-8-19(20)22-14-6-7-15-22/h4-15H,3,16H2,1-2H3