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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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