2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-5-nitro-benzonitrile Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O2S/c20-11-14-10-15(23(24)25)7-8-17(14)22-9-3-4-13(12-22)19-21-16-5-1-2-6-18(16)26-19/h1-2,5-8,10,13H,3-4,9,12H2/t13-/m0/s1