2-[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-14-9-10-17(25-2)19(12-14)27(23,24)22-11-5-6-15(13-22)20-21-16-7-3-4-8-18(16)26-20/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m1/s1