2-[2-(1,3-benzodioxol-5-yl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)vinyl]-6-(1-piperidylsulfonyl)-1,3-benzothiazole CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-6-(1-piperidinylsulfonyl)-1,3-benzothiazole IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)vinyl]-6-piperidinosulfonyl-1,3-benzothiazole Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O4S2/c24-29(25,23-10-2-1-3-11-23)16-6-7-17-20(13-16)28-21(22-17)9-5-15-4-8-18-19(12-15)27-14-26-18/h4-9,12-13H,1-3,10-11,14H2