N-(1-methoxypropan-2-yl)-4-[(4-morpholin-4-ylphenyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-methoxypropan-2-yl)-4-[(4-morpholin-4-ylphenyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-methoxy-1-methyl-ethyl)-4-(4-morpholinoanilino)-3-nitro-benzenesulfonamide CAS Name: N-(1-methoxypropan-2-yl)-4-[4-(4-morpholinyl)anilino]-3-nitrobenzenesulfonamide IUPAC Name: N-(1-methoxypropan-2-yl)-4-(4-morpholin-4-ylanilino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-methoxy-1-methyl-ethyl)-4-(4-morpholinoanilino)-3-nitro-benzenesulfonamide Formula: C20H26N4O6S MolecularWeight: 450.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6S/c1-15(14-29-2)22-31(27,28)18-7-8-19(20(13-18)24(25)26)21-16-3-5-17(6-4-16)23-9-11-30-12-10-23/h3-8,13,15,21-22H,9-12,14H2,1-2H3