N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C28H26ClN5O4S2 MolecularWeight: 596.12014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN5O4S2/c29-22-9-6-10-23(17-22)34-26(31-32-28(34)39-19-25(35)20-7-2-1-3-8-20)18-30-27(36)21-11-13-24(14-12-21)40(37,38)33-15-4-5-16-33/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,30,36)