[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-27-16-7-5-6-15(12-16)21-18(23)14-28-19(24)13-17-8-9-20(29-17)30(25,26)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13-14H2,1H3,(H,21,23)