3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: 3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]carbamoyl]-N-benzyl-benzenesulfonamide CAS Name: 3-[[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]carbamoyl]-N-benzylbenzenesulfonamide Traditional Name: 3-[[3-(1,3-benzothiazol-2-yl)propanoylamino]carbamoyl]-N-benzyl-benzenesulfonamide Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4S2/c29-22(13-14-23-26-20-11-4-5-12-21(20)33-23)27-28-24(30)18-9-6-10-19(15-18)34(31,32)25-16-17-7-2-1-3-8-17/h1-12,15,25H,13-14,16H2,(H,27,29)(H,28,30)