N'-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: N'-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N'-[(1S)-1-methylpropyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N'-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N'-[(2S)-butan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N'-[(1S)-1-methylpropyl]succinamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)NC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O4S2/c1-4-10(2)17-14(20)7-8-15(21)19-16-18-12-6-5-11(25(3,22)23)9-13(12)24-16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)(H,18,19,21)/t10-/m0/s1