[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H28N2O7S2/c1-29-18-8-6-16(12-19(18)30-2)14-23-20(25)15-31-21(26)13-17-7-9-22(32-17)33(27,28)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-15H2,1-2H3,(H,23,25)