(2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyramide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5S3/c1-30-11-8-16(21(25)22-13-20-23-15-4-2-3-5-19(15)31-20)24-32(26,27)14-6-7-17-18(12-14)29-10-9-28-17/h2-7,12,16,24H,8-11,13H2,1H3,(H,22,25)/t16-/m0/s1