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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-15-2-4-16(5-3-15)19(14-21-10-12-27-13-11-21)20-28(25,26)18-8-6-17(7-9-18)22(23)24/h2-9,19-20H,10-14H2,1H3/p+1/t19-/m0/s1