4-[[methyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[mercapto(methyl)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[methyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(methyl)carbamoyl]amino]butyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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