1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3-nitrophenoxy)ethanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c24-19(13-27-16-7-3-6-15(11-16)23(25)26)22-10-4-5-14(12-22)20-21-17-8-1-2-9-18(17)28-20/h1-3,6-9,11,14H,4-5,10,12-13H2/t14-/m0/s1