2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-yl-ethyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-yl-ethyl)-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-morpholino-2-(3-thienyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-(4-morpholinyl)-2-(3-thiophenyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[2-morpholino-2-(3-thienyl)ethyl]-5-nitro-benzenesulfonamide Formula: C17H21N3O5S2 MolecularWeight: 411.49574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S2/c1-13-2-3-15(20(21)22)10-17(13)27(23,24)18-11-16(14-4-9-26-12-14)19-5-7-25-8-6-19/h2-4,9-10,12,16,18H,5-8,11H2,1H3