6-(azepan-1-ylsulfonyl)-N-[3-(dipropylamino)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[3-(dipropylamino)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[3-(dipropylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(dipropylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[3-(dipropylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[3-(dipropylamino)propyl]-2-keto-1H-quinoline-4-carboxamide Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN(CCC)CCCNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H38N4O4S/c1-3-13-28(14-4-2)15-9-12-26-25(31)22-19-24(30)27-23-11-10-20(18-21(22)23)34(32,33)29-16-7-5-6-8-17-29/h10-11,18-19H,3-9,12-17H2,1-2H3,(H,26,31)(H,27,30)