butyl 4-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenyl-carbonimidoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-C-phenyl-N-(p-tolylsulfonyl)carbonimidoyl]amino]benzoate CAS Name: 4-[[(E)-(4-methylphenyl)sulfonylimino-phenylmethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoate Traditional Name: 4-[[(E)-C-phenyl-N-tosyl-carbonimidoyl]amino]benzoic acid butyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)C)/C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4S/c1-3-4-18-31-25(28)21-12-14-22(15-13-21)26-24(20-8-6-5-7-9-20)27-32(29,30)23-16-10-19(2)11-17-23/h5-17H,3-4,18H2,1-2H3,(H,26,27)