2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-(1-piperidylsulfonyl)-1,3-benzothiazole CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-(1-piperidinylsulfonyl)-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-piperidin-1-ylsulfonyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-piperidinosulfonyl-1,3-benzothiazole Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C22H24N2O4S2/c1-27-19-10-6-16(14-20(19)28-2)7-11-22-23-18-9-8-17(15-21(18)29-22)30(25,26)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3/b11-7+