4-[[ethyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NCCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

Isomeric SMILES

CCN(C(=O)NCCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

InChI

InChI=1S/C22H28N4O6S2/c1-3-26(33)22(29)23-14-4-5-15-32-20(27)17-8-10-18(11-9-17)24-21(28)25-34(30,31)19-12-6-16(2)7-13-19/h6-13,33H,3-5,14-15H2,1-2H3,(H,23,29)(H2,24,25,28)