2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl 3-nitrobenzoate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl 3-nitrobenzoate Openeye Name: 2-[N-(p-tolylsulfonyl)anilino]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-(N-(4-methylphenyl)sulfonylanilino)ethyl ester IUPAC Name: 2-(N-(4-methylphenyl)sulfonylanilino)ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(N-tosylanilino)ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-17-10-12-21(13-11-17)31(28,29)23(19-7-3-2-4-8-19)14-15-30-22(25)18-6-5-9-20(16-18)24(26)27/h2-13,16H,14-15H2,1H3