6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-[3-(1-pyrrolidinyl)propyl]-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(3-pyrrolidinopropyl)-1H-quinoline-4-carboxamide Formula: C23H32N4O4S MolecularWeight: 460.58958

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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)NCCCN4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCCN4CCCC4

InChI

InChI=1S/C23H32N4O4S/c28-22-17-20(23(29)24-10-7-13-26-11-5-6-12-26)19-16-18(8-9-21(19)25-22)32(30,31)27-14-3-1-2-4-15-27/h8-9,16-17H,1-7,10-15H2,(H,24,29)(H,25,28)