4-[[propan-2-yl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[propan-2-yl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[isopropyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[mercapto(propan-2-yl)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[propan-2-yl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[isopropyl(mercapto)carbamoyl]amino]butyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCCNC(=O)N(C(C)C)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCCNC(=O)N(C(C)C)S

InChI

InChI=1S/C23H30N4O6S2/c1-16(2)27(34)23(30)24-13-4-5-14-33-21(28)18-7-6-8-19(15-18)25-22(29)26-35(31,32)20-11-9-17(3)10-12-20/h6-12,15-16,34H,4-5,13-14H2,1-3H3,(H,24,30)(H2,25,26,29)