4-(4-methylphenyl)sulfonylbutyl 2-(cyclohexylsulfonylcarbamoylamino)benzoate

Systemtic Name: 4-(4-methylphenyl)sulfonylbutyl 2-(cyclohexylsulfonylcarbamoylamino)benzoate Openeye Name: 4-(p-tolylsulfonyl)butyl 2-(cyclohexylsulfonylcarbamoylamino)benzoate CAS Name: 2-[[(cyclohexylsulfonylamino)-oxomethyl]amino]benzoic acid 4-(4-methylphenyl)sulfonylbutyl ester IUPAC Name: 4-(4-methylphenyl)sulfonylbutyl 2-(cyclohexylsulfonylcarbamoylamino)benzoate Traditional Name: 2-(cyclohexylsulfonylcarbamoylamino)benzoic acid 4-tosylbutyl ester Formula: C25H32N2O7S2 MolecularWeight: 536.66078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCCOC(=O)C2=CC=CC=C2NC(=O)NS(=O)(=O)C3CCCCC3

InChI

InChI=1S/C25H32N2O7S2/c1-19-13-15-20(16-14-19)35(30,31)18-8-7-17-34-24(28)22-11-5-6-12-23(22)26-25(29)27-36(32,33)21-9-3-2-4-10-21/h5-6,11-16,21H,2-4,7-10,17-18H2,1H3,(H2,26,27,29)