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

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O5S2/c1-12(2)18(19(24)22-20-21-14-5-3-4-6-17(14)29-20)23-30(25,26)13-7-8-15-16(11-13)28-10-9-27-15/h3-8,11-12,18,23H,9-10H2,1-2H3,(H,21,22,24)/t18-/m0/s1