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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-keto-1H-quinoline-4-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O4S/c26-21-15-19(18-7-3-4-8-20(18)24-21)22(27)23-16-9-11-17(12-10-16)30(28,29)25-13-5-1-2-6-14-25/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,23,27)(H,24,26)