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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromanyl-3-nitro-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-bromo-3-nitro-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-bromo-3-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromo-3-nitrophenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-bromo-3-nitro-phenyl)methanone Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3S/c20-14-8-7-12(10-16(14)23(25)26)19(24)22-9-3-4-13(11-22)18-21-15-5-1-2-6-17(15)27-18/h1-2,5-8,10,13H,3-4,9,11H2/t13-/m0/s1