N4-(2-methylcyclohexyl)-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-(2-methylcyclohexyl)-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide Openeye Name: N4-(2-methylcyclohexyl)-N1-[2-(4-pyridyl)ethyl]benzene-1,4-disulfonamide CAS Name: N4-(2-methylcyclohexyl)-N1-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(2-methylcyclohexyl)-1-N-(2-pyridin-4-ylethyl)benzene-1,4-disulfonamide Traditional Name: N'-(2-methylcyclohexyl)-N-[2-(4-pyridyl)ethyl]benzene-1,4-disulfonamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C20H27N3O4S2/c1-16-4-2-3-5-20(16)23-29(26,27)19-8-6-18(7-9-19)28(24,25)22-15-12-17-10-13-21-14-11-17/h6-11,13-14,16,20,22-23H,2-5,12,15H2,1H3