2-methyl-N,2-bis(oxidanyl)-3-sulfonyl-propanamide; 1-(2-methylphenyl)-3-phenyl-urea

Systemtic Name: 2-methyl-N,2-bis(oxidanyl)-3-sulfonyl-propanamide; 1-(2-methylphenyl)-3-phenyl-urea Openeye Name: 2-hydroxy-2-methyl-3-sulfonyl-propanehydroxamic acid; 1-(o-tolyl)-3-phenyl-urea CAS Name: N,2-dihydroxy-2-methyl-3-sulfonylpropanamide; 1-(2-methylphenyl)-3-phenylurea IUPAC Name: N,2-dihydroxy-2-methyl-3-sulfonylpropanamide; 1-(2-methylphenyl)-3-phenylurea Traditional Name: 2-hydroxy-2-methyl-3-sulfonyl-propanehydroxamic acid; 1-(o-tolyl)-3-phenyl-urea Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2.CC(C=S(=O)=O)(C(=O)NO)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=CC=C2.CC(C=S(=O)=O)(C(=O)NO)O

InChI

InChI=1S/C14H14N2O.C4H7NO5S/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12;1-4(7,2-11(9)10)3(6)5-8/h2-10H,1H3,(H2,15,16,17);2,7-8H,1H3,(H,5,6)