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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-phenethyl-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-phenethyl-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-N-phenethyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-phenethylquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-4-keto-1-methyl-N-phenethyl-quinoline-3-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-27-18-22(25(30)26-14-13-19-9-5-4-6-10-19)24(29)21-17-20(11-12-23(21)27)33(31,32)28-15-7-2-3-8-16-28/h4-6,9-12,17-18H,2-3,7-8,13-16H2,1H3,(H,26,30)