(2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methylindol-3-yl)butanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methylindol-3-yl)butanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methylindol-3-yl)butanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methyl-3-indolyl)butanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methylindol-3-yl)butanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylsulfonylamino)-3-methyl-3-(1-methylindol-3-yl)butyramide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(C2=CC=CC=C21)C)C(C(=O)N)NS(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C1=CN(C2=CC=CC=C21)C)[C@@H](C(=O)N)NS(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S2/c1-21(2,14-12-25(3)16-10-6-4-8-13(14)16)18(19(22)26)24-30(27,28)20-23-15-9-5-7-11-17(15)29-20/h4-12,18,24H,1-3H3,(H2,22,26)/t18-/m1/s1