N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide CAS Name: N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-14-8-9-17(12-15(14)2)19-22-23-20(27-19)21-18(24)10-11-28(25,26)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,23,24)