4-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(4-methyl-1-piperidyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-(4-methyl-1-piperidinyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidino)butyramide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S2/c1-12-7-9-21(10-8-12)17(23)6-5-16(22)20-18-19-14-4-3-13(27(2,24)25)11-15(14)26-18/h3-4,11-12H,5-10H2,1-2H3,(H,19,20,22)