N-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide

Systemtic Name: N-[1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-6-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide CAS Name: N-[1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide IUPAC Name: N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]-2-keto-3,4-dihydro-1H-quinoline-6-sulfonamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C24H29N3O4S/c28-23-13-10-19-17-20(11-12-21(19)25-23)32(30,31)26-22(16-18-8-4-3-5-9-18)24(29)27-14-6-1-2-7-15-27/h3-5,8-9,11-12,17,22,26H,1-2,6-7,10,13-16H2,(H,25,28)