4-[[butyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[butyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[butyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[butyl(mercapto)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[butyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[butyl(mercapto)carbamoyl]amino]butyl ester Formula: C24H32N4O6S2 MolecularWeight: 536.66408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NCCCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

Isomeric SMILES

CCCCN(C(=O)NCCCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

InChI

InChI=1S/C24H32N4O6S2/c1-3-4-15-28(35)24(31)25-14-5-6-16-34-22(29)19-8-7-9-20(17-19)26-23(30)27-36(32,33)21-12-10-18(2)11-13-21/h7-13,17,35H,3-6,14-16H2,1-2H3,(H,25,31)(H2,26,27,30)