N-(2,4-dimethylphenyl)-4-[[3-(2-methylpropoxy)-2-oxidanyl-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[[3-(2-methylpropoxy)-2-oxidanyl-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(2-hydroxy-3-isobutoxy-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(2-hydroxy-3-isobutoxy-propyl)amino]-3-nitro-benzenesulfonamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S/c1-14(2)12-30-13-17(25)11-22-20-8-6-18(10-21(20)24(26)27)31(28,29)23-19-7-5-15(3)9-16(19)4/h5-10,14,17,22-23,25H,11-13H2,1-4H3