2-[(2S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(4-methyl-3-nitro-phenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(4-methyl-3-nitrophenyl)sulfonyl-2-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(4-methyl-3-nitro-phenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-13-9-10-14(12-17(13)22(23)24)28(25,26)21-11-5-4-7-16(21)19-20-15-6-2-3-8-18(15)27-19/h2-3,6,8-10,12,16H,4-5,7,11H2,1H3/t16-/m0/s1