3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenyl-urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenyl-urea Openeye Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenyl-urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenylurea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenylurea Traditional Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-methyl-1-phenyl-urea Formula: C17H19N3O5S MolecularWeight: 377.41486

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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)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O5S/c1-12-9-14(10-13(2)16(12)26(24,25)11-20(22)23)18-17(21)19(3)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,18,21)