2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c22-21(23)14-4-3-5-15(12-14)27(24,25)20-10-8-13(9-11-20)18-19-16-6-1-2-7-17(16)26-18/h1-7,12-13H,8-11H2