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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-N-(p-tolylmethyl)quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-N-(4-methylbenzyl)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)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C26H31N3O4S/c1-3-28-18-23(26(31)27-17-20-10-8-19(2)9-11-20)25(30)22-16-21(12-13-24(22)28)34(32,33)29-14-6-4-5-7-15-29/h8-13,16,18H,3-7,14-15,17H2,1-2H3,(H,27,31)