[3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl] 2-methyl-3-nitro-benzoate Openeye Name: [3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-[(4-chlorophenyl)sulfonylamino]-3-phenylpropyl] ester IUPAC Name: [3-[(4-chlorophenyl)sulfonylamino]-3-phenylpropyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-[(4-chlorophenyl)sulfonylamino]-3-phenyl-propyl] ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O6S/c1-16-20(8-5-9-22(16)26(28)29)23(27)32-15-14-21(17-6-3-2-4-7-17)25-33(30,31)19-12-10-18(24)11-13-19/h2-13,21,25H,14-15H2,1H3