[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C25H29NO6S3 MolecularWeight: 535.69586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H29NO6S3/c1-30-21-9-6-18(16-23(21)35(28,29)26-12-4-3-5-13-26)7-11-24(27)32-20-10-8-19(17-22(20)31-2)25-33-14-15-34-25/h6-11,16-17,25H,3-5,12-15H2,1-2H3/b11-7+