[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H15ClN2O6S/c1-22(30(27,28)19-11-5-15(21)6-12-19)16-7-9-18(10-8-16)29-20(24)14-3-2-4-17(13-14)23(25)26/h2-13H,1H3