4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-methoxyphenyl)methyl]butanamide

Systemtic Name: 4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 4-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 4-(N-mesyl-2,5-dimethyl-anilino)-N-p-anisyl-butyramide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NCC2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O4S/c1-16-7-8-17(2)20(14-16)23(28(4,25)26)13-5-6-21(24)22-15-18-9-11-19(27-3)12-10-18/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)