[3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propyl] 4-nitrobenzoate Openeye Name: [3-phenyl-3-(p-tolylsulfonylamino)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] ester IUPAC Name: [3-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-phenyl-3-(tosylamino)propyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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