N-[2-(4-dimethylaminophenyl)-2-morpholin-4-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-morpholin-4-yl-ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-morpholinyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-morpholin-4-ylethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCOCC3

InChI

InChI=1S/C21H28N4O5S/c1-16-4-7-19(25(26)27)14-21(16)31(28,29)22-15-20(24-10-12-30-13-11-24)17-5-8-18(9-6-17)23(2)3/h4-9,14,20,22H,10-13,15H2,1-3H3