6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(phenylmethyl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(phenylmethyl)-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-(phenylmethyl)-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-2-keto-1H-quinoline-4-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c27-22-15-20(23(28)24-16-17-8-4-3-5-9-17)19-14-18(10-11-21(19)25-22)31(29,30)26-12-6-1-2-7-13-26/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2,(H,24,28)(H,25,27)