N-[2,5-bis(chloranyl)phenyl]-4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide Openeye Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-methyl-benzenesulfonamide CAS Name: N-(2,5-dichlorophenyl)-N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methylbenzenesulfonamide Traditional Name: N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-methyl-benzenesulfonamide Formula: C20H25Cl2N2O4S+ MolecularWeight: 460.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCOCC2)O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCOCC2)O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H24Cl2N2O4S/c1-15-2-5-18(6-3-15)29(26,27)24(20-12-16(21)4-7-19(20)22)14-17(25)13-23-8-10-28-11-9-23/h2-7,12,17,25H,8-11,13-14H2,1H3/p+1