6-(azepan-1-ylsulfonyl)-N-butyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-butyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-butyl-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-butyl-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-butyl-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-butyl-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC

Isomeric SMILES

CCCCNC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC

InChI

InChI=1S/C22H31N3O4S/c1-3-5-12-23-22(27)19-16-24(4-2)20-11-10-17(15-18(20)21(19)26)30(28,29)25-13-8-6-7-9-14-25/h10-11,15-16H,3-9,12-14H2,1-2H3,(H,23,27)