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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(3-methyl-2-morpholin-4-yl-butyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(3-methyl-2-morpholino-butyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[3-methyl-2-(4-morpholinyl)butyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(3-methyl-2-morpholino-butyl)amino]-3-nitro-benzenesulfonamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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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)C)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O5S/c1-16(2)23(26-9-11-32-12-10-26)15-24-21-8-6-19(14-22(21)27(28)29)33(30,31)25-20-7-5-17(3)13-18(20)4/h5-8,13-14,16,23-25H,9-12,15H2,1-4H3