6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(2-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-N-o-anisyl-quinoline-3-carboxamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C26H31N3O5S/c1-3-28-18-22(26(31)27-17-19-10-6-7-11-24(19)34-2)25(30)21-16-20(12-13-23(21)28)35(32,33)29-14-8-4-5-9-15-29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,27,31)