(2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c24-19(22-11-5-2-6-12-22)18(14-7-3-1-4-8-14)28-20-21-16-10-9-15(23(25)26)13-17(16)27-20/h1,3-4,7-10,13,18H,2,5-6,11-12H2/t18-/m1/s1