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

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(4-phenoxyphenyl)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(4-phenoxyphenyl)butyramide Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O4S/c1-5-24(27(32(4,29)30)21-14-11-18(2)19(3)17-21)25(28)26-20-12-15-23(16-13-20)31-22-9-7-6-8-10-22/h6-17,24H,5H2,1-4H3,(H,26,28)