thiophen-2-ylmethyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: thiophen-2-ylmethyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: 2-thienylmethyl (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid 2-thenyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23NO5S2/c1-25-18-9-7-16(8-10-20(22)26-15-17-6-5-13-27-17)14-19(18)28(23,24)21-11-3-2-4-12-21/h5-10,13-14H,2-4,11-12,15H2,1H3/b10-8+