N4-[(1S,2S)-2-methylcyclohexyl]-N1-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-[(1S,2S)-2-methylcyclohexyl]-N1-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-[(1S,2S)-2-methylcyclohexyl]-N1-(4-pyridylmethyl)benzene-1,4-disulfonamide CAS Name: N4-[(1S,2S)-2-methylcyclohexyl]-N1-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-[(1S,2S)-2-methylcyclohexyl]-1-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N'-[(1S,2S)-2-methylcyclohexyl]-N-(4-pyridylmethyl)benzene-1,4-disulfonamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3/t15-,19-/m0/s1