9-(4-methylphenyl)sulfonylnonyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 9-(4-methylphenyl)sulfonylnonyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 9-(p-tolylsulfonyl)nonyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 9-(4-methylphenyl)sulfonylnonyl ester IUPAC Name: 9-(4-methylphenyl)sulfonylnonyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 9-tosylnonyl ester Formula: C31H38N2O7S2 MolecularWeight: 614.77262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCOC(=O)C2=CC(=CC=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCOC(=O)C2=CC(=CC=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C31H38N2O7S2/c1-24-13-17-28(18-14-24)41(36,37)22-9-7-5-3-4-6-8-21-40-30(34)26-11-10-12-27(23-26)32-31(35)33-42(38,39)29-19-15-25(2)16-20-29/h10-20,23H,3-9,21-22H2,1-2H3,(H2,32,33,35)