3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(2-methylpropyl)urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(2-methylpropyl)urea Openeye Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-diisobutyl-urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(2-methylpropyl)urea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-bis(2-methylpropyl)urea Traditional Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-diisobutyl-urea Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)N(CC(C)C)CC(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C18H29N3O5S/c1-12(2)9-20(10-13(3)4)18(22)19-16-7-14(5)17(15(6)8-16)27(25,26)11-21(23)24/h7-8,12-13H,9-11H2,1-6H3,(H,19,22)