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

Systemtic Name: 3-[propan-2-yl(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[isopropyl(sulfanylcarbamoyl)amino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[(mercaptoamino)-oxomethyl]-propan-2-ylamino]propyl ester IUPAC Name: 3-[propan-2-yl(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[isopropyl(mercaptocarbamoyl)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=C(C=C2)C(=O)OCCCN(C(C)C)C(=O)NS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCN(C(C)C)C(=O)NS

InChI

InChI=1S/C22H28N4O6S2/c1-15(2)26(22(29)24-33)13-4-14-32-20(27)17-7-9-18(10-8-17)23-21(28)25-34(30,31)19-11-5-16(3)6-12-19/h5-12,15,33H,4,13-14H2,1-3H3,(H,24,29)(H2,23,25,28)