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

Systemtic Name: N-cyclohexyl-N-methyl-4-[[3-(phenylmethyl)-1,3-diazinan-3-ium-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-(3-benzylhexahydropyrimidin-3-ium-1-yl)sulfonyl-N-cyclohexyl-N-methyl-benzenesulfonamide CAS Name: N-cyclohexyl-N-methyl-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-cyclohexyl-N-methylbenzenesulfonamide Traditional Name: 4-(3-benzylhexahydropyrimidin-3-ium-1-yl)sulfonyl-N-cyclohexyl-N-methyl-benzenesulfonamide Formula: C24H34N3O4S2+ MolecularWeight: 492.67446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O4S2/c1-25(22-11-6-3-7-12-22)32(28,29)23-13-15-24(16-14-23)33(30,31)27-18-8-17-26(20-27)19-21-9-4-2-5-10-21/h2,4-5,9-10,13-16,22H,3,6-8,11-12,17-20H2,1H3/p+1