N'-[(2S)-2-(3-methylphenoxy)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[(2S)-2-(3-methylphenoxy)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[(2S)-2-(3-methylphenoxy)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[(2S)-2-(3-methylphenoxy)-1-oxopropyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[(2S)-2-(3-methylphenoxy)propanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[(2S)-2-(3-methylphenoxy)propanoyl]-4-pyrrolidinosulfonyl-benzohydrazide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O5S/c1-15-6-5-7-18(14-15)29-16(2)20(25)22-23-21(26)17-8-10-19(11-9-17)30(27,28)24-12-3-4-13-24/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)/t16-/m0/s1