phenylsulfonylamino 2-[[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]methyl]butanoate

Systemtic Name: phenylsulfonylamino 2-[[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]methyl]butanoate Openeye Name: benzenesulfonamido 2-[[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]methyl]butanoate CAS Name: 2-[[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]methyl]butanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 2-[[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]methyl]butanoate Traditional Name: 2-[3-[(3-isothiocyanatophenyl)sulfonylamino]benzyl]butyric acid benzenesulfonamido ester Formula: C24H23N3O6S3 MolecularWeight: 545.65092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C=S)C(=O)ONS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C=S)C(=O)ONS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O6S3/c1-2-19(24(28)33-27-36(31,32)22-11-4-3-5-12-22)14-18-8-6-10-21(15-18)26-35(29,30)23-13-7-9-20(16-23)25-17-34/h3-13,15-16,19,26-27H,2,14H2,1H3