[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethylsulfonylphenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethylsulfonylphenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-ethylsulfonylphenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2-ethylsulfonylphenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-ethylsulfonylphenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-esylphenyl)methanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S2/c1-2-28(25,26)19-12-6-3-9-16(19)21(24)23-13-7-8-15(14-23)20-22-17-10-4-5-11-18(17)27-20/h3-6,9-12,15H,2,7-8,13-14H2,1H3/t15-/m1/s1