1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-2-(4-nitrophenoxy)ethanone Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)C=CC(=C3)Cl)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O4S/c21-14-1-6-18-17(11-14)22-20(29-18)13-7-9-23(10-8-13)19(25)12-28-16-4-2-15(3-5-16)24(26)27/h1-6,11,13H,7-10,12H2