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

Systemtic Name: 2-[(3S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S2/c1-13-10-16(23(24)25)11-19(14(13)2)29(26,27)22-9-5-6-15(12-22)20-21-17-7-3-4-8-18(17)28-20/h3-4,7-8,10-11,15H,5-6,9,12H2,1-2H3/t15-/m0/s1