4-(4-methylphenyl)sulfonylbutyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-(4-methylphenyl)sulfonylbutyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-(p-tolylsulfonyl)butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-(4-methylphenyl)sulfonylbutyl ester IUPAC Name: 4-(4-methylphenyl)sulfonylbutyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-tosylbutyl ester Formula: C26H28N2O7S2 MolecularWeight: 544.63972

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28N2O7S2/c1-19-8-12-23(13-9-19)36(31,32)17-4-3-16-35-25(29)21-6-5-7-22(18-21)27-26(30)28-37(33,34)24-14-10-20(2)11-15-24/h5-15,18H,3-4,16-17H2,1-2H3,(H2,27,28,30)