N'-(2-phenethylsulfanylethanoyl)-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-(2-phenethylsulfanylethanoyl)-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-(2-phenethylsulfanylacetyl)-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[1-oxo-2-(phenethylthio)ethyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-(2-phenethylsulfanylacetyl)-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[2-(phenethylthio)acetyl]-4-pyrrolidinosulfonyl-benzohydrazide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CSCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CSCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c25-20(16-29-15-12-17-6-2-1-3-7-17)22-23-21(26)18-8-10-19(11-9-18)30(27,28)24-13-4-5-14-24/h1-3,6-11H,4-5,12-16H2,(H,22,25)(H,23,26)