N-(phenylmethyl)-3-[(4-thiophen-2-ylbutanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[(4-thiophen-2-ylbutanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[4-(2-thienyl)butanoylamino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[(1-oxo-4-thiophen-2-ylbutyl)hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[(4-thiophen-2-ylbutanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[4-(2-thienyl)butanoylamino]carbamoyl]benzenesulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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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)CCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H23N3O4S2/c26-21(13-5-10-19-11-6-14-30-19)24-25-22(27)18-9-4-12-20(15-18)31(28,29)23-16-17-7-2-1-3-8-17/h1-4,6-9,11-12,14-15,23H,5,10,13,16H2,(H,24,26)(H,25,27)