2-[(3R)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3R)-1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3R)-1-(4-methylsulfonyl-2-nitro-phenyl)-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3R)-1-(4-methylsulfonyl-2-nitrophenyl)-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3R)-1-(4-methylsulfonyl-2-nitrophenyl)piperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3R)-1-(4-mesyl-2-nitro-phenyl)-3-piperidyl]-1,3-benzothiazole Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-28(25,26)14-8-9-16(17(11-14)22(23)24)21-10-4-5-13(12-21)19-20-15-6-2-3-7-18(15)27-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m1/s1