ethyl 2-[(4-methylphenyl)sulfonyl-[2-(2-nitropyrrol-1-yl)phenyl]amino]ethanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonyl-[2-(2-nitropyrrol-1-yl)phenyl]amino]ethanoate Openeye Name: ethyl 2-[2-(2-nitropyrrol-1-yl)-N-(p-tolylsulfonyl)anilino]acetate CAS Name: 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitro-1-pyrrolyl)anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitropyrrol-1-yl)anilino]acetate Traditional Name: 2-[2-(2-nitropyrrol-1-yl)-N-tosyl-anilino]acetic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1N2C=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1N2C=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)17-12-10-16(2)11-13-17)19-8-5-4-7-18(19)22-14-6-9-20(22)24(26)27/h4-14H,3,15H2,1-2H3