[(4-chlorophenyl)-(4-methylphenyl)sulfonyl-amino] 4-nitrobenzenesulfonate

Systemtic Name: [(4-chlorophenyl)-(4-methylphenyl)sulfonyl-amino] 4-nitrobenzenesulfonate Openeye Name: [4-chloro-N-(p-tolylsulfonyl)anilino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-chloro-N-(4-methylphenyl)sulfonylanilino) ester IUPAC Name: (4-chloro-N-(4-methylphenyl)sulfonylanilino) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-chloro-N-tosyl-anilino) ester Formula: C19H15ClN2O7S2 MolecularWeight: 482.9146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7S2/c1-14-2-10-18(11-3-14)30(25,26)22(17-6-4-15(20)5-7-17)29-31(27,28)19-12-8-16(9-13-19)21(23)24/h2-13H,1H3