6-chloranyl-2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-1-sulfonamide

Systemtic Name: 6-chloranyl-2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-1-sulfonamide Openeye Name: 6-chloro-2-[1-[(2-chlorophenyl)methyl]-4-piperidyl]-2-oxido-3-oxo-isoindolin-2-ium-1-sulfonamide CAS Name: 6-chloro-2-[1-[(2-chlorophenyl)methyl]-4-piperidinyl]-2-oxido-3-oxo-1H-isoindol-2-ium-1-sulfonamide IUPAC Name: 6-chloro-2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-oxido-3-oxo-1H-isoindol-2-ium-1-sulfonamide Traditional Name: 6-chloro-2-[1-(2-chlorobenzyl)-4-piperidyl]-3-keto-2-oxido-isoindolin-2-ium-1-sulfonamide Formula: C20H21Cl2N3O4S MolecularWeight: 470.36944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[N+]2(C(C3=C(C2=O)C=CC(=C3)Cl)S(=O)(=O)N)[O-])CC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCC1[N+]2(C(C3=C(C2=O)C=CC(=C3)Cl)S(=O)(=O)N)[O-])CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H21Cl2N3O4S/c21-14-5-6-16-17(11-14)20(30(23,28)29)25(27,19(16)26)15-7-9-24(10-8-15)12-13-3-1-2-4-18(13)22/h1-6,11,15,20H,7-10,12H2,(H2,23,28,29)