3-[tert-butyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O6S2/c1-16-9-11-19(12-10-16)35(31,32)26-21(29)24-18-8-5-7-17(15-18)20(28)33-14-6-13-27(22(30)25-34)23(2,3)4/h5,7-12,15,34H,6,13-14H2,1-4H3,(H,25,30)(H2,24,26,29)