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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-phenyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-phenyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-phenylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-phenylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-phenyl-propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-23(20-9-5-4-6-10-20)22(25)16-13-19-11-14-21(15-12-19)28(26,27)24-17-7-2-3-8-18-24/h4-6,9-12,14-15H,2-3,7-8,13,16-18H2,1H3