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

Systemtic Name: 2,3-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-12-18(23(24)25)13-20(16(15)2)29(26,27)21-19(17-6-4-3-5-7-17)14-22-8-10-28-11-9-22/h3-7,12-13,19,21H,8-11,14H2,1-2H3/p+1/t19-/m1/s1