N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-keto-1H-quinoline-3-carboxamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CNC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CNC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S/c1-31-21-11-10-16(32(29,30)26-12-6-2-3-7-13-26)14-20(21)25-23(28)18-15-24-19-9-5-4-8-17(19)22(18)27/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,24,27)(H,25,28)