4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-ethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-ethoxyphenyl)methyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[(4-ethoxyphenyl)methyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide Traditional Name: N-(4-ethoxybenzyl)-4-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O4S/c1-5-28-21-12-9-19(10-13-21)16-23-22(25)7-6-14-24(29(4,26)27)20-11-8-17(2)18(3)15-20/h8-13,15H,5-7,14,16H2,1-4H3,(H,23,25)