9-(4-methylphenyl)sulfonylnonyl 2-(methylsulfonylcarbamoylamino)benzoate

Systemtic Name: 9-(4-methylphenyl)sulfonylnonyl 2-(methylsulfonylcarbamoylamino)benzoate Openeye Name: 9-(p-tolylsulfonyl)nonyl 2-(methylsulfonylcarbamoylamino)benzoate CAS Name: 2-[[methanesulfonamido(oxo)methyl]amino]benzoic acid 9-(4-methylphenyl)sulfonylnonyl ester IUPAC Name: 9-(4-methylphenyl)sulfonylnonyl 2-(methylsulfonylcarbamoylamino)benzoate Traditional Name: 2-(mesylcarbamoylamino)benzoic acid 9-tosylnonyl ester Formula: C25H34N2O7S2 MolecularWeight: 538.67666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCCCCCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C

InChI

InChI=1S/C25H34N2O7S2/c1-20-14-16-21(17-15-20)36(32,33)19-11-7-5-3-4-6-10-18-34-24(28)22-12-8-9-13-23(22)26-25(29)27-35(2,30)31/h8-9,12-17H,3-7,10-11,18-19H2,1-2H3,(H2,26,27,29)