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

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(2-methylphenyl)-1-propan-2-yl-urea Openeye Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-isopropyl-1-(o-tolyl)urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(2-methylphenyl)-1-propan-2-ylurea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(2-methylphenyl)-1-propan-2-ylurea Traditional Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-isopropyl-1-(o-tolyl)urea Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(C)C)C(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N(C(C)C)C(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-13(2)23(18-9-7-6-8-14(18)3)20(24)21-17-10-15(4)19(16(5)11-17)29(27,28)12-22(25)26/h6-11,13H,12H2,1-5H3,(H,21,24)