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

Systemtic Name: 3-[[propan-2-yl(sulfanyl)carbamoyl]amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[[isopropyl(sulfanyl)carbamoyl]amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[[mercapto(propan-2-yl)amino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[propan-2-yl(sulfanyl)carbamoyl]amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[[isopropyl(mercapto)carbamoyl]amino]propyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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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)OCCCNC(=O)N(C(C)C)S

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S2/c1-15(2)26(33)22(29)23-12-5-13-32-20(27)17-6-4-7-18(14-17)24-21(28)25-34(30,31)19-10-8-16(3)9-11-19/h4,6-11,14-15,33H,5,12-13H2,1-3H3,(H,23,29)(H2,24,25,28)