N-cyclohexyl-4-[[3-(phenylmethyl)-1,3-diazinan-3-ium-1-yl]sulfonyl]benzenesulfonamide

Systemtic Name: N-cyclohexyl-4-[[3-(phenylmethyl)-1,3-diazinan-3-ium-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-(3-benzylhexahydropyrimidin-3-ium-1-yl)sulfonyl-N-cyclohexyl-benzenesulfonamide CAS Name: N-cyclohexyl-4-[[3-(phenylmethyl)-1,3-diazinan-3-ium-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[(3-benzyl-1,3-diazinan-3-ium-1-yl)sulfonyl]-N-cyclohexylbenzenesulfonamide Traditional Name: 4-(3-benzylhexahydropyrimidin-3-ium-1-yl)sulfonyl-N-cyclohexyl-benzenesulfonamide Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4S2/c27-31(28,24-21-10-5-2-6-11-21)22-12-14-23(15-13-22)32(29,30)26-17-7-16-25(19-26)18-20-8-3-1-4-9-20/h1,3-4,8-9,12-15,21,24H,2,5-7,10-11,16-19H2/p+1