1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(2-nitrophenyl)ethanone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c24-19(12-14-6-1-3-9-17(14)23(25)26)22-11-5-7-15(13-22)20-21-16-8-2-4-10-18(16)27-20/h1-4,6,8-10,15H,5,7,11-13H2/t15-/m1/s1