2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-2-piperidyl]-1,3-benzothiazole Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H22N2O4S2/c1-25-17-11-10-14(13-18(17)26-2)28(23,24)22-12-6-5-8-16(22)20-21-15-7-3-4-9-19(15)27-20/h3-4,7,9-11,13,16H,5-6,8,12H2,1-2H3/t16-/m0/s1