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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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