1-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxidanylidene-2-[7-(phenylsulfonylamino)quinolin-3-yl]cyclohexane-1-carboximidamide

Systemtic Name: 1-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxidanylidene-2-[7-(phenylsulfonylamino)quinolin-3-yl]cyclohexane-1-carboximidamide Openeye Name: 2-[7-(benzenesulfonamido)-3-quinolyl]-1-[3-(2,6-dimethyl-1-piperidyl)pentyl]-5-oxo-cyclohexanecarboxamidine CAS Name: 2-[7-(benzenesulfonamido)-3-quinolinyl]-1-[3-(2,6-dimethyl-1-piperidinyl)pentyl]-5-oxo-1-cyclohexanecarboximidamide IUPAC Name: 2-[7-(benzenesulfonamido)quinolin-3-yl]-1-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxocyclohexane-1-carboximidamide Traditional Name: 2-[7-(benzenesulfonamido)-3-quinolyl]-1-[3-(2,6-dimethylpiperidino)pentyl]-5-keto-cyclohexanecarboxamidine Formula: C34H45N5O3S MolecularWeight: 603.8178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1(CC(=O)CCC1C2=CN=C3C=C(C=CC3=C2)NS(=O)(=O)C4=CC=CC=C4)C(=N)N)N5C(CCCC5C)C

Isomeric SMILES

CCC(CCC1(CC(=O)CCC1C2=CN=C3C=C(C=CC3=C2)NS(=O)(=O)C4=CC=CC=C4)C(=N)N)N5C(CCCC5C)C

InChI

InChI=1S/C34H45N5O3S/c1-4-28(39-23(2)9-8-10-24(39)3)17-18-34(33(35)36)21-29(40)15-16-31(34)26-19-25-13-14-27(20-32(25)37-22-26)38-43(41,42)30-11-6-5-7-12-30/h5-7,11-14,19-20,22-24,28,31,38H,4,8-10,15-18,21H2,1-3H3,(H3,35,36)