1,2-benzothiazol-5-yl 3-phenyl-2-(phenylsulfonylamino)propanoate

Systemtic Name: 1,2-benzothiazol-5-yl 3-phenyl-2-(phenylsulfonylamino)propanoate Openeye Name: 1,2-benzothiazol-5-yl 2-(benzenesulfonamido)-3-phenyl-propanoate CAS Name: 2-(benzenesulfonamido)-3-phenylpropanoic acid 1,2-benzothiazol-5-yl ester IUPAC Name: 1,2-benzothiazol-5-yl 2-(benzenesulfonamido)-3-phenylpropanoate Traditional Name: 2-(benzenesulfonamido)-3-phenyl-propionic acid 1,2-benzothiazol-5-yl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=CC3=C(C=C2)SN=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=CC3=C(C=C2)SN=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S2/c25-22(28-18-11-12-21-17(14-18)15-23-29-21)20(13-16-7-3-1-4-8-16)24-30(26,27)19-9-5-2-6-10-19/h1-12,14-15,20,24H,13H2