4-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzenesulfonamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15-3-6-17(7-4-15)19(14-22-9-11-28-12-10-22)21-29(26,27)18-8-5-16(2)20(13-18)23(24)25/h3-8,13,19,21H,9-12,14H2,1-2H3/p+1/t19-/m0/s1