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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(3-methoxypropyl)-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(3-methoxypropyl)-1H-quinoline-4-carboxamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-28-12-6-9-21-20(25)17-14-19(24)22-18-8-7-15(13-16(17)18)29(26,27)23-10-4-2-3-5-11-23/h7-8,13-14H,2-6,9-12H2,1H3,(H,21,25)(H,22,24)