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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl 4-nitrobenzoate Openeye Name: 2-[N-(p-tolylsulfonyl)anilino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(N-(4-methylphenyl)sulfonylanilino)ethyl ester IUPAC Name: 2-(N-(4-methylphenyl)sulfonylanilino)ethyl 4-nitrobenzoate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

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