3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-1-prop-2-enyl-urea

Systemtic Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-urea CAS Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-1-prop-2-enylurea IUPAC Name: 3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-1-prop-2-enylurea Traditional Name: 1-allyl-3-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-urea Formula: C19H21N3O5S MolecularWeight: 403.45214

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-4-10-21(17-8-6-5-7-9-17)19(23)20-16-11-14(2)18(15(3)12-16)28(26,27)13-22(24)25/h4-9,11-12H,1,10,13H2,2-3H3,(H,20,23)