6-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(2-ethoxybenzyl)-2-keto-1H-quinoline-4-carboxamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-2-33-23-10-6-5-9-18(23)17-26-25(30)21-16-24(29)27-22-12-11-19(15-20(21)22)34(31,32)28-13-7-3-4-8-14-28/h5-6,9-12,15-16H,2-4,7-8,13-14,17H2,1H3,(H,26,30)(H,27,29)