3-(2-adamantylcarbamoyl)-1-(4-methylphenyl)-1-methylsulfonyl-urea

Systemtic Name: 3-(2-adamantylcarbamoyl)-1-(4-methylphenyl)-1-methylsulfonyl-urea Openeye Name: 3-(2-adamantylcarbamoyl)-1-methylsulfonyl-1-(p-tolyl)urea CAS Name: 3-[(2-adamantylamino)-oxomethyl]-1-(4-methylphenyl)-1-methylsulfonylurea IUPAC Name: 3-(2-adamantylcarbamoyl)-1-(4-methylphenyl)-1-methylsulfonylurea Traditional Name: 3-(2-adamantylcarbamoyl)-1-mesyl-1-(p-tolyl)urea Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=O)NC(=O)NC2C3CC4CC(C3)CC2C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=O)NC(=O)NC2C3CC4CC(C3)CC2C4)S(=O)(=O)C

InChI

InChI=1S/C20H27N3O4S/c1-12-3-5-17(6-4-12)23(28(2,26)27)20(25)22-19(24)21-18-15-8-13-7-14(10-15)11-16(18)9-13/h3-6,13-16,18H,7-11H2,1-2H3,(H2,21,22,24,25)