N'-[3-(4-methylphenyl)sulfonylpropanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[3-(4-methylphenyl)sulfonylpropanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[3-(p-tolylsulfonyl)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[3-(4-methylphenyl)sulfonylpropanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: 4-pyrrolidinosulfonyl-N'-(3-tosylpropanoyl)benzohydrazide Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O6S2/c1-16-4-8-18(9-5-16)31(27,28)15-12-20(25)22-23-21(26)17-6-10-19(11-7-17)32(29,30)24-13-2-3-14-24/h4-11H,2-3,12-15H2,1H3,(H,22,25)(H,23,26)