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

Systemtic Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-nitro-phenolate Openeye Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenolate CAS Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitrophenolate Traditional Name: 5-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-nitro-phenolate Formula: C19H16N3O4S- MolecularWeight: 382.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c23-16-10-12(7-8-15(16)22(25)26)19(24)21-9-3-4-13(11-21)18-20-14-5-1-2-6-17(14)27-18/h1-2,5-8,10,13,23H,3-4,9,11H2/p-1/t13-/m0/s1