[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-chloro-4-nitro-phenyl)methanone Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c20-15-10-13(23(25)26)7-8-14(15)19(24)22-9-3-4-12(11-22)18-21-16-5-1-2-6-17(16)27-18/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1