2-[(E)-2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-methoxy-3-piperidinosulfonyl-phenyl)vinyl]-1,3-benzothiazole Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O3S2/c1-26-18-11-9-16(10-12-21-22-17-7-3-4-8-19(17)27-21)15-20(18)28(24,25)23-13-5-2-6-14-23/h3-4,7-12,15H,2,5-6,13-14H2,1H3/b12-10+