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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-propylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-propyl-propionamide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28N2O3S/c1-2-13-19-18(21)12-9-16-7-10-17(11-8-16)24(22,23)20-14-5-3-4-6-15-20/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,19,21)