[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H26N2O6S2/c1-29-17-9-8-16(13-20(17)32(27,28)24-10-3-2-4-11-24)23-21(25)14-30-22(26)19-12-15-6-5-7-18(15)31-19/h8-9,12-13H,2-7,10-11,14H2,1H3,(H,23,25)