N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide

Systemtic Name: N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide Openeye Name: N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-pyrrolidin-1-ylsulfonyl-benzohydrazide CAS Name: N'-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-4-(1-pyrrolidinylsulfonyl)benzohydrazide IUPAC Name: N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide Traditional Name: N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-pyrrolidinosulfonyl-benzohydrazide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O4S2/c26-19(11-12-20-22-17-5-1-2-6-18(17)30-20)23-24-21(27)15-7-9-16(10-8-15)31(28,29)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H,23,26)(H,24,27)