3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxoazepan-1-yl)propyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(2-oxo-1-azepanyl)propyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-oxoazepan-1-yl)propyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(2-ketoazepan-1-yl)propyl]propionamide Formula: C24H37N3O4S MolecularWeight: 463.63328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C24H37N3O4S/c28-23(25-16-8-18-26-17-5-3-4-9-24(26)29)15-12-21-10-13-22(14-11-21)32(30,31)27-19-6-1-2-7-20-27/h10-11,13-14H,1-9,12,15-20H2,(H,25,28)