1-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)-3-nitro-phenyl]methyl]urea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methylsulfonylamino)-3-nitro-phenyl]methyl]urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitro-phenyl]methyl]urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]urea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamido)-3-nitro-benzyl]urea Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)NCC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)NCC2=CC(=C(C=C2)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23-30(4,28)29)18(11-15)24(26)27/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)