3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[[2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)C

InChI

InChI=1S/C21H23N3O5S/c1-5-12-22-30(27,28)18-10-7-9-17(13-18)21(26)24-23-20(25)16(4)29-19-11-6-8-14(2)15(19)3/h1,6-11,13,16,22H,12H2,2-4H3,(H,23,25)(H,24,26)