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

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

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-2-27-18-22(25(30)26-17-19-10-6-5-7-11-19)24(29)21-16-20(12-13-23(21)27)33(31,32)28-14-8-3-4-9-15-28/h5-7,10-13,16,18H,2-4,8-9,14-15,17H2,1H3,(H,26,30)