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

Systemtic Name: 2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-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)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H22N2O4S2/c1-25-17-10-9-15(12-18(17)26-2)28(23,24)22-11-5-6-14(13-22)20-21-16-7-3-4-8-19(16)27-20/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3/t14-/m0/s1