N'-[2-(2,6-dimethylphenoxy)ethanoyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[2-(2,6-dimethylphenoxy)ethanoyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[2-(2,6-dimethylphenoxy)-1-oxoethyl]-3-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[2-(2,6-dimethylphenoxy)acetyl]-3-pyrrolidinosulfonyl-benzohydrazide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-15-7-5-8-16(2)20(15)29-14-19(25)22-23-21(26)17-9-6-10-18(13-17)30(27,28)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,25)(H,23,26)