3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1-prop-2-ynyl-urea

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1-prop-2-ynyl-urea Openeye Name: 1-benzyl-1-prop-2-ynyl-3-(p-tolylsulfonyl)urea CAS Name: 3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-1-prop-2-ynylurea IUPAC Name: 1-benzyl-3-(4-methylphenyl)sulfonyl-1-prop-2-ynylurea Traditional Name: 1-benzyl-1-propargyl-3-tosyl-urea Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC#C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC#C)CC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O3S/c1-3-13-20(14-16-7-5-4-6-8-16)18(21)19-24(22,23)17-11-9-15(2)10-12-17/h1,4-12H,13-14H2,2H3,(H,19,21)