1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(3,5,7-trimethyl-1-adamantyl)urea

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(3,5,7-trimethyl-1-adamantyl)urea Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea CAS Name: 1-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(3,5,7-trimethyl-1-adamantyl)urea Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-phenyl)-3-(3,5,7-trimethyl-1-adamantyl)urea Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)NC34CC5(CC(C3)(CC(C5)(C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)NC34CC5(CC(C3)(CC(C5)(C4)C)C)C

InChI

InChI=1S/C26H39N3O3S/c1-19-8-9-20(33(31,32)29-10-6-5-7-11-29)12-21(19)27-22(30)28-26-16-23(2)13-24(3,17-26)15-25(4,14-23)18-26/h8-9,12H,5-7,10-11,13-18H2,1-4H3,(H2,27,28,30)