4-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxidanylidene-3-(phenylsulfonylamino)-4-quinoxalin-2-yl-cyclohexene-1-carboximidamide

Systemtic Name: 4-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxidanylidene-3-(phenylsulfonylamino)-4-quinoxalin-2-yl-cyclohexene-1-carboximidamide Openeye Name: 3-(benzenesulfonamido)-4-[3-(2,6-dimethyl-1-piperidyl)pentyl]-5-oxo-4-quinoxalin-2-yl-cyclohexene-1-carboxamidine CAS Name: 3-(benzenesulfonamido)-4-[3-(2,6-dimethyl-1-piperidinyl)pentyl]-5-oxo-4-(2-quinoxalinyl)-1-cyclohexenecarboximidamide IUPAC Name: 3-(benzenesulfonamido)-4-[3-(2,6-dimethylpiperidin-1-yl)pentyl]-5-oxo-4-quinoxalin-2-ylcyclohexene-1-carboximidamide Traditional Name: 3-(benzenesulfonamido)-4-[3-(2,6-dimethylpiperidino)pentyl]-5-keto-4-quinoxalin-2-yl-cyclohexene-1-carboxamidine Formula: C33H42N6O3S MolecularWeight: 602.78998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1(C(C=C(CC1=O)C(=N)N)NS(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3)N5C(CCCC5C)C

Isomeric SMILES

CCC(CCC1(C(C=C(CC1=O)C(=N)N)NS(=O)(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3)N5C(CCCC5C)C

InChI

InChI=1S/C33H42N6O3S/c1-4-25(39-22(2)11-10-12-23(39)3)17-18-33(30-21-36-27-15-8-9-16-28(27)37-30)29(19-24(32(34)35)20-31(33)40)38-43(41,42)26-13-6-5-7-14-26/h5-9,13-16,19,21-23,25,29,38H,4,10-12,17-18,20H2,1-3H3,(H3,34,35)