N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H21N5O4S2/c26-18-8-7-16(31(28,29)25-9-1-2-10-25)11-17(18)23-19(27)15-5-3-14(4-6-15)12-30-20-21-13-22-24-20/h3-8,11,13,26H,1-2,9-10,12H2,(H,23,27)(H,21,22,24)