N-(4-methylphenyl)sulfonyl-N'-[2-(phenylsulfonylamino)ethyl]-2-piperidin-1-ium-1-yl-ethanimidamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-N'-[2-(phenylsulfonylamino)ethyl]-2-piperidin-1-ium-1-yl-ethanimidamide Openeye Name: N'-[2-(benzenesulfonamido)ethyl]-2-piperidin-1-ium-1-yl-N-(p-tolylsulfonyl)acetamidine CAS Name: N'-[2-(benzenesulfonamido)ethyl]-N-(4-methylphenyl)sulfonyl-2-(1-piperidin-1-iumyl)ethanimidamide IUPAC Name: N'-[2-(benzenesulfonamido)ethyl]-N-(4-methylphenyl)sulfonyl-2-piperidin-1-ium-1-ylethanimidamide Traditional Name: N'-[2-(benzenesulfonamido)ethyl]-2-piperidin-1-ium-1-yl-N-tosyl-acetamidine Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCNS(=O)(=O)C2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCNS(=O)(=O)C2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H30N4O4S2/c1-19-10-12-21(13-11-19)32(29,30)25-22(18-26-16-6-3-7-17-26)23-14-15-24-31(27,28)20-8-4-2-5-9-20/h2,4-5,8-13,24H,3,6-7,14-18H2,1H3,(H,23,25)/p+1