N'-(4-phenylsulfanylbutanoyl)-3-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-(4-phenylsulfanylbutanoyl)-3-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-(4-phenylsulfanylbutanoyl)-3-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[1-oxo-4-(phenylthio)butyl]-3-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-(4-phenylsulfanylbutanoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[4-(phenylthio)butanoyl]-3-pyrrolidinosulfonyl-benzohydrazide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCCSC3=CC=CC=C3

InChI

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