N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-2-(phenylsulfonylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-2-oxidanyl-2-phenyl-ethyl]-2-(phenylsulfonylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(benzenesulfonamido)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(benzenesulfonamido)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(benzenesulfonamido)-N-[(2S)-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(benzenesulfonamido)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H19N3O4S2/c26-19(15-7-3-1-4-8-15)14-23-21(27)16-11-12-18-20(13-16)30-22(24-18)25-31(28,29)17-9-5-2-6-10-17/h1-13,19,26H,14H2,(H,23,27)(H,24,25)/t19-/m1/s1