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

Systemtic Name: 4-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-15-7-8-17(13-19(15)22(23)24)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