N-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-oxo-6-(1-pyrrolidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-keto-6-pyrrolidinosulfonyl-1H-quinoline-4-carboxamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O4S/c27-21-16-19(22(28)23-9-14-25-10-3-1-2-4-11-25)18-15-17(7-8-20(18)24-21)31(29,30)26-12-5-6-13-26/h7-8,15-16H,1-6,9-14H2,(H,23,28)(H,24,27)