4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O4S3/c1-29-17-10-9-16(13-18(17)32(27,28)25-11-5-6-12-25)19(26)22-20-23-24-21(31-20)30-14-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,23,26)