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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-(5-p-anisyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S2/c1-27-17-9-7-15(8-10-17)13-19-22-23-20(28-19)21-18(24)11-12-29(25,26)14-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,23,24)