2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O4S2/c1-30-18-8-6-17(7-9-18)26-15-22-24-21(26)31-14-20(27)23-16-4-10-19(11-5-16)32(28,29)25-12-2-3-13-25/h4-11,15H,2-3,12-14H2,1H3,(H,23,27)