3-[4-(azepan-1-ylsulfonyl)phenyl]-N-quinolin-3-yl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-quinolin-3-yl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-quinolyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-quinolinyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-quinolin-3-ylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-quinolyl)propionamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C24H27N3O3S/c28-24(26-21-17-20-7-3-4-8-23(20)25-18-21)14-11-19-9-12-22(13-10-19)31(29,30)27-15-5-1-2-6-16-27/h3-4,7-10,12-13,17-18H,1-2,5-6,11,14-16H2,(H,26,28)