4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-ethoxyphenyl)butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-ethoxyphenyl)butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-ethoxyphenyl)butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-m-phenetyl-butyramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-5-27-19-9-6-8-18(15-19)22-21(24)10-7-13-23(28(4,25)26)20-14-16(2)11-12-17(20)3/h6,8-9,11-12,14-15H,5,7,10,13H2,1-4H3,(H,22,24)