N-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-3-[[3-(2-thienyl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-3-[oxo-[(1-oxo-3-thiophen-2-ylpropyl)hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-3-[[3-(2-thienyl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CC=CS3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CC=CS3

InChI

InChI=1S/C21H21N3O5S2/c1-29-19-10-3-2-9-18(19)24-31(27,28)17-8-4-6-15(14-17)21(26)23-22-20(25)12-11-16-7-5-13-30-16/h2-10,13-14,24H,11-12H2,1H3,(H,22,25)(H,23,26)