N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[3-[(3,4-dimethylphenyl)thio]propanoyl]-4-pyrrolidinosulfonyl-benzohydrazide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-16-5-8-19(15-17(16)2)30-14-11-21(26)23-24-22(27)18-6-9-20(10-7-18)31(28,29)25-12-3-4-13-25/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)(H,24,27)