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

Systemtic Name: 4-[[ethyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[ethyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[ethyl(mercapto)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[ethyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[ethyl(mercapto)carbamoyl]amino]butyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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