N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxidanylidene-6-piperidin-1-ylsulfonyl-quinoline-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-6-(1-piperidylsulfonyl)quinoline-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-6-(1-piperidinylsulfonyl)-3-quinolinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-6-piperidin-1-ylsulfonylquinoline-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-1-methyl-6-piperidinosulfonyl-quinoline-3-carboxamide Formula: C28H35N3O6S MolecularWeight: 541.659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCC4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCC4)C)OCC

InChI

InChI=1S/C28H35N3O6S/c1-4-36-25-12-9-20(17-26(25)37-5-2)13-14-29-28(33)23-19-30(3)24-11-10-21(18-22(24)27(23)32)38(34,35)31-15-7-6-8-16-31/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,29,33)