4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-methylsulfonyl-phenyl)butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-methylsulfonyl-phenyl)butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(2-methyl-5-methylsulfonyl-phenyl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-methyl-5-methylsulfonylphenyl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-methyl-5-methylsulfonylphenyl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(5-mesyl-2-methyl-phenyl)butyramide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-15-7-10-19(30(4,26)27)14-20(15)22-21(25)6-5-13-23(3)31(28,29)18-11-8-17(9-12-18)16(2)24/h7-12,14H,5-6,13H2,1-4H3,(H,22,25)