3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(methylsulfonylamino)-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(methylsulfonylamino)-3-oxidanylidene-quinoxalin-2-yl]benzenecarboximidamide Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-6-(methanesulfonamido)-3-oxo-quinoxalin-2-yl]benzamidine CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-6-(methanesulfonamido)-3-oxo-2-quinoxalinyl]benzenecarboximidamide IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-6-(methanesulfonamido)-3-oxoquinoxalin-2-yl]benzenecarboximidamide Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-6-(methanesulfonamido)quinoxalin-2-yl]benzamidine Formula: C28H38N6O3S MolecularWeight: 538.70472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NS(=O)(=O)C)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NS(=O)(=O)C)N=C(C2=O)C4=CC(=CC=C4)C(=N)N)C

InChI

InChI=1S/C28H38N6O3S/c1-19-9-7-10-20(2)33(19)15-5-4-6-16-34-25-18-23(32-38(3,36)37)13-14-24(25)31-26(28(34)35)21-11-8-12-22(17-21)27(29)30/h8,11-14,17-20,32H,4-7,9-10,15-16H2,1-3H3,(H3,29,30)