ethyl 3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]-3-(phenylsulfonylamino)propanoate

Systemtic Name: ethyl 3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]-3-(phenylsulfonylamino)propanoate Openeye Name: ethyl 3-(benzenesulfonamido)-3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]propanoate CAS Name: 3-(benzenesulfonamido)-3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonamido)-3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]propanoate Traditional Name: 3-(benzenesulfonamido)-3-[3-[(3-isothiocyanatophenyl)sulfonylamino]phenyl]propionic acid ethyl ester Formula: C24H23N3O6S3 MolecularWeight: 545.65092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C=S)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)N=C=S)NS(=O)(=O)C3=CC=CC=C3

InChI

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