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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(3-propan-2-yloxypropyl)-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-isopropoxypropyl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(3-isopropoxypropyl)-2-keto-1H-quinoline-4-carboxamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-16(2)30-13-7-10-23-22(27)19-15-21(26)24-20-9-8-17(14-18(19)20)31(28,29)25-11-5-3-4-6-12-25/h8-9,14-16H,3-7,10-13H2,1-2H3,(H,23,27)(H,24,26)