4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C20H26N3O6S+ MolecularWeight: 436.50194

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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=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-16-5-7-20(8-6-16)30(27,28)22(17-3-2-4-18(13-17)23(25)26)15-19(24)14-21-9-11-29-12-10-21/h2-8,13,19,24H,9-12,14-15H2,1H3/p+1