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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S2/c1-12-4-3-9-21(11-12)17(23)8-7-16(22)20-18-19-14-6-5-13(27(2,24)25)10-15(14)26-18/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,19,20,22)/t12-/m0/s1