[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O5S2/c26-20(23-10-8-16-14-24-18-7-3-2-6-17(16)18)15-30-22(27)21-19(9-13-31-21)32(28,29)25-11-4-1-5-12-25/h2-3,6-7,9,13-14,24H,1,4-5,8,10-12,15H2,(H,23,26)