1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-besyl-propan-1-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c24-20(12-14-28(25,26)17-8-2-1-3-9-17)23-13-6-7-16(15-23)21-22-18-10-4-5-11-19(18)27-21/h1-5,8-11,16H,6-7,12-15H2/t16-/m1/s1