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

Systemtic Name: 2-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-5-nitro-benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-15-7-8-17(22(23)24)13-19(15)28(25,26)20-18(16-5-3-2-4-6-16)14-21-9-11-27-12-10-21/h2-8,13,18,20H,9-12,14H2,1H3/p+1/t18-/m1/s1