3-[[phenyl(sulfanyl)carbamoyl]amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 3-[[phenyl(sulfanyl)carbamoyl]amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[[phenyl(sulfanyl)carbamoyl]amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[(N-mercaptoanilino)-oxomethyl]amino]propyl ester IUPAC Name: 3-[[phenyl(sulfanyl)carbamoyl]amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[[mercapto(phenyl)carbamoyl]amino]propyl ester Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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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(C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCNC(=O)N(C3=CC=CC=C3)S

InChI

InChI=1S/C25H26N4O6S2/c1-18-11-13-22(14-12-18)37(33,34)28-24(31)27-20-8-5-7-19(17-20)23(30)35-16-6-15-26-25(32)29(36)21-9-3-2-4-10-21/h2-5,7-14,17,36H,6,15-16H2,1H3,(H,26,32)(H2,27,28,31)