3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methyl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-hydroxy-4-methylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-hydroxy-4-methyl-phenyl)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)O

InChI

InChI=1S/C22H28N2O4S/c1-17-6-12-20(21(25)16-17)23-22(26)13-9-18-7-10-19(11-8-18)29(27,28)24-14-4-2-3-5-15-24/h6-8,10-12,16,25H,2-5,9,13-15H2,1H3,(H,23,26)