N-methyl-3-nitro-N-phenyl-4-[[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]amino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-N-phenyl-4-[[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]amino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-N-phenyl-4-[4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]anilino]benzenesulfonamide CAS Name: N-methyl-3-nitro-N-phenyl-4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anilino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-N-phenyl-4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anilino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-N-phenyl-4-[4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]anilino]benzenesulfonamide Formula: C33H37N3O5S MolecularWeight: 587.72898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C33H37N3O5S/c1-32(2,3)23-33(4,5)24-12-16-27(17-13-24)41-28-18-14-25(15-19-28)34-30-21-20-29(22-31(30)36(37)38)42(39,40)35(6)26-10-8-7-9-11-26/h7-22,34H,23H2,1-6H3