4-[[(4-butoxy-3-methoxy-phenyl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[(4-butoxy-3-methoxy-phenyl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[(4-butoxy-3-methoxy-benzoyl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[(4-butoxy-3-methoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[(4-butoxy-3-methoxybenzoyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[(4-butoxy-3-methoxy-benzoyl)amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C)OC

InChI

InChI=1S/C22H25N3O6S/c1-4-6-14-31-19-12-9-17(15-20(19)30-3)22(27)25-24-21(26)16-7-10-18(11-8-16)32(28,29)23-13-5-2/h2,7-12,15,23H,4,6,13-14H2,1,3H3,(H,24,26)(H,25,27)