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

Systemtic Name: 4-chloranyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzenesulfonamide Formula: C19H23ClN3O5S+ MolecularWeight: 440.92102

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O5S/c1-14-2-4-15(5-3-14)18(13-22-8-10-28-11-9-22)21-29(26,27)16-6-7-17(20)19(12-16)23(24)25/h2-7,12,18,21H,8-11,13H2,1H3/p+1/t18-/m0/s1