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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c22-21(23)13-8-10-14(11-9-13)27(24,25)20-12-4-3-6-16(20)18-19-15-5-1-2-7-17(15)26-18/h1-2,5,7-11,16H,3-4,6,12H2/t16-/m0/s1