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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)C1=NN=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S2/c1-3-7-13(2)16-19-20-17(24-16)18-15(21)10-11-25(22,23)12-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,18,20,21)/t13-/m0/s1