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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S2/c1-17(2,3)11-15-19-20-16(24-15)18-14(21)9-10-25(22,23)12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,20,21)