1,3-benzodioxol-5-yl 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid 1,3-benzodioxol-5-yl ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23NO7S/c1-27-19-8-5-16(13-21(19)31(25,26)23-11-3-2-4-12-23)6-10-22(24)30-17-7-9-18-20(14-17)29-15-28-18/h5-10,13-14H,2-4,11-12,15H2,1H3