N-(2,5-dimethylphenyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2,5-dimethylphenyl)propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(2,5-dimethylphenyl)propionamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-14-8-9-15(2)17(12-14)19-18(20)10-11-23(21,22)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)