2,3-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-5-nitro-benzenesulfonamide Formula: C21H28N3O5S+ MolecularWeight: 434.52912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-15-4-6-18(7-5-15)20(14-23-8-10-29-11-9-23)22-30(27,28)21-13-19(24(25)26)12-16(2)17(21)3/h4-7,12-13,20,22H,8-11,14H2,1-3H3/p+1/t20-/m0/s1