[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C26H34N2O7S MolecularWeight: 518.62236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C26H34N2O7S/c1-33-23-12-8-21(18-24(23)34-2)14-15-27-25(29)19-35-26(30)13-9-20-6-10-22(11-7-20)36(31,32)28-16-4-3-5-17-28/h6-8,10-12,18H,3-5,9,13-17,19H2,1-2H3,(H,27,29)