[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N2O5S2/c1-23(16-19-6-5-15-30-19)21(25)17-29-22(26)12-9-18-7-10-20(11-8-18)31(27,28)24-13-3-2-4-14-24/h5-8,10-11,15H,2-4,9,12-14,16-17H2,1H3