N-(4-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-3-[[3-(2-thienyl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-3-[oxo-[(1-oxo-3-thiophen-2-ylpropyl)hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-3-[(3-thiophen-2-ylpropanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(4-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=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCC3=CC=CS3

InChI

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