2-[(3S)-1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O4S2/c1-13-8-9-15(22(23)24)11-18(13)28(25,26)21-10-4-5-14(12-21)19-20-16-6-2-3-7-17(16)27-19/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m0/s1