3-[[3-(3,4-dimethoxyphenyl)propanoylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[3-(3,4-dimethoxyphenyl)propanoylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[3-(3,4-dimethoxyphenyl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[3-(3,4-dimethoxyphenyl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[3-(3,4-dimethoxyphenyl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H27N3O6S/c1-33-22-13-11-18(15-23(22)34-2)12-14-24(29)27-28-25(30)20-9-6-10-21(16-20)35(31,32)26-17-19-7-4-3-5-8-19/h3-11,13,15-16,26H,12,14,17H2,1-2H3,(H,27,29)(H,28,30)