2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]-N-propyl-ethanamide Openeye Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]-N-propyl-acetamide CAS Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]-N-propylacetamide IUPAC Name: 2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]-N-propylacetamide Traditional Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]-N-propyl-acetamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)C

Isomeric SMILES

CCCNC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)OC)C

InChI

InChI=1S/C21H28N2O4S/c1-4-13-22-21(24)16-23(14-12-18-8-6-5-7-9-18)28(25,26)19-10-11-20(27-3)17(2)15-19/h5-11,15H,4,12-14,16H2,1-3H3,(H,22,24)