N-[2-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-chloro-4-(p-tolylsulfonylamino)phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-chloro-4-(tosylamino)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=O)C[NH+]3CCCCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=O)C[NH+]3CCCCC3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-15-5-8-17(9-6-15)28(26,27)23-16-7-10-19(18(21)13-16)22-20(25)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)/p+1