3-(butylamino)-2-phenoxy-5-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide

Systemtic Name: 3-(butylamino)-2-phenoxy-5-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide Openeye Name: 3-(butylamino)-2-phenoxy-5-[(2-pyridylmethylamino)methyl]benzenesulfonamide CAS Name: 3-(butylamino)-2-phenoxy-5-[(2-pyridinylmethylamino)methyl]benzenesulfonamide IUPAC Name: 3-(butylamino)-2-phenoxy-5-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide Traditional Name: 3-(butylamino)-2-phenoxy-5-[(2-pyridylmethylamino)methyl]benzenesulfonamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)CNCC2=CC=CC=N2)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3S/c1-2-3-12-27-21-14-18(16-25-17-19-9-7-8-13-26-19)15-22(31(24,28)29)23(21)30-20-10-5-4-6-11-20/h4-11,13-15,25,27H,2-3,12,16-17H2,1H3,(H2,24,28,29)