3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-di(propan-2-yl)urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-di(propan-2-yl)urea Openeye Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-diisopropyl-urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-di(propan-2-yl)urea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-di(propan-2-yl)urea Traditional Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1,1-diisopropyl-urea Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-10(2)19(11(3)4)16(20)17-14-7-12(5)15(13(6)8-14)25(23,24)9-18(21)22/h7-8,10-11H,9H2,1-6H3,(H,17,20)