2,3-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-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)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

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