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

Systemtic Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[mercapto(methyl)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(methyl)carbamoyl]amino]butyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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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)OCCCCNC(=O)N(C)S

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S2/c1-15-5-11-18(12-6-15)33(29,30)24-20(27)23-17-9-7-16(8-10-17)19(26)31-14-4-3-13-22-21(28)25(2)32/h5-12,32H,3-4,13-14H2,1-2H3,(H,22,28)(H2,23,24,27)