2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-5-chloranyl-benzamide

Systemtic Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-5-chloranyl-benzamide Openeye Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]-5-chloro-benzamide CAS Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]-5-chlorobenzamide IUPAC Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]-5-chlorobenzamide Traditional Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]-5-chloro-benzamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20ClN3O3S/c22-14-7-8-17(15(10-14)20(23)27)28-12-19(26)25-9-3-4-13(11-25)21-24-16-5-1-2-6-18(16)29-21/h1-2,5-8,10,13H,3-4,9,11-12H2,(H2,23,27)/t13-/m0/s1