N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-4-keto-1-methyl-quinoline-3-carboxamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C22H32N4O4S/c1-24(2)31(29,30)17-9-10-20-18(15-17)21(27)19(16-25(20)3)22(28)23-11-8-14-26-12-6-4-5-7-13-26/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,23,28)