6-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(3-ethoxypropyl)-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-keto-1H-quinoline-4-carboxamide Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOCCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O5S/c1-2-29-13-7-10-22-21(26)18-15-20(25)23-19-9-8-16(14-17(18)19)30(27,28)24-11-5-3-4-6-12-24/h8-9,14-15H,2-7,10-13H2,1H3,(H,22,26)(H,23,25)