N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(phenylazanylcarbamoyl)nonan-5-ylamino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[5-(phenylazanylcarbamoyl)nonan-5-ylamino]benzenesulfonamide Openeye Name: 4-[[1-(anilinocarbamoyl)-1-butyl-pentyl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[5-[oxo-(phenylhydrazo)methyl]nonan-5-ylamino]benzenesulfonamide IUPAC Name: 4-[5-(anilinocarbamoyl)nonan-5-ylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[[1-(anilinocarbamoyl)-1-butyl-pentyl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C28H38N6O3S MolecularWeight: 538.70472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C28H38N6O3S/c1-5-7-18-28(19-8-6-2,26(35)33-32-24-12-10-9-11-13-24)31-23-14-16-25(17-15-23)38(36,37)34-27-29-21(3)20-22(4)30-27/h9-17,20,31-32H,5-8,18-19H2,1-4H3,(H,33,35)(H,29,30,34)