N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-1-phenyl-methanesulfonamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c25-20(13-22-29(26,27)15-16-7-2-1-3-8-16)24-12-6-9-17(14-24)21-23-18-10-4-5-11-19(18)28-21/h1-5,7-8,10-11,17,22H,6,9,12-15H2/t17-/m0/s1