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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O6S2/c1-16(2)27(23(30)25-34)13-4-5-14-33-21(28)18-7-6-8-19(15-18)24-22(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,25,30)(H2,24,26,29)