N-(2,4-dimethylphenyl)-4-[(2-methyl-2-morpholin-4-yl-propyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(2-methyl-2-morpholin-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(2-methyl-2-morpholino-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[2-methyl-2-(4-morpholinyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(2-methyl-2-morpholino-propyl)amino]-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5S/c1-16-5-7-19(17(2)13-16)24-32(29,30)18-6-8-20(21(14-18)26(27)28)23-15-22(3,4)25-9-11-31-12-10-25/h5-8,13-14,23-24H,9-12,15H2,1-4H3