2-[(3S)-1-(2,4-dinitrophenyl)piperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(2,4-dinitrophenyl)piperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(2,4-dinitrophenyl)-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(2,4-dinitrophenyl)-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(2,4-dinitrophenyl)piperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(2,4-dinitrophenyl)-3-piperidyl]-1,3-benzothiazole Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O4S/c23-21(24)13-7-8-15(16(10-13)22(25)26)20-9-3-4-12(11-20)18-19-14-5-1-2-6-17(14)27-18/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1