1-(2-cyanoethyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-urea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-urea Openeye Name: 1-(2-cyanoethyl)-1-phenyl-3-(p-tolylsulfonyl)urea CAS Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)sulfonyl-1-phenylurea IUPAC Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)sulfonyl-1-phenylurea Traditional Name: 1-(2-cyanoethyl)-1-phenyl-3-tosyl-urea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-14-8-10-16(11-9-14)24(22,23)19-17(21)20(13-5-12-18)15-6-3-2-4-7-15/h2-4,6-11H,5,13H2,1H3,(H,19,21)