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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethyl 4-nitrobenzoate Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[benzyl(tosyl)amino]ethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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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-])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S/c1-18-7-13-22(14-8-18)32(29,30)24(17-19-5-3-2-4-6-19)15-16-31-23(26)20-9-11-21(12-10-20)25(27)28/h2-14H,15-17H2,1H3