N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S2/c1-3-14(4-2)16-19-20-17(24-16)18-15(21)10-11-25(22,23)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,18,20,21)