6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-keto-quinoline-3-carboxamide Formula: C25H36N4O4S MolecularWeight: 488.64274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC

InChI

InChI=1S/C25H36N4O4S/c1-3-27-13-9-10-19(27)17-26-25(31)22-18-28(4-2)23-12-11-20(16-21(23)24(22)30)34(32,33)29-14-7-5-6-8-15-29/h11-12,16,18-19H,3-10,13-15,17H2,1-2H3,(H,26,31)