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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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