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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxidanylidene-N-phenethyl-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-N-phenethyl-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-4-oxo-N-phenethyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-N-phenethylquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-N-phenethyl-quinoline-3-carboxamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-2-28-19-23(26(31)27-15-14-20-10-6-5-7-11-20)25(30)22-18-21(12-13-24(22)28)34(32,33)29-16-8-3-4-9-17-29/h5-7,10-13,18-19H,2-4,8-9,14-17H2,1H3,(H,27,31)