1-[(4,5-dimethyl-2-methylsulfonyl-phenyl)amino]-3-[3-(3,5-dimethylphenoxy)propyl]urea

Systemtic Name: 1-[(4,5-dimethyl-2-methylsulfonyl-phenyl)amino]-3-[3-(3,5-dimethylphenoxy)propyl]urea Openeye Name: 1-(4,5-dimethyl-2-methylsulfonyl-anilino)-3-[3-(3,5-dimethylphenoxy)propyl]urea CAS Name: 1-(4,5-dimethyl-2-methylsulfonylanilino)-3-[3-(3,5-dimethylphenoxy)propyl]urea IUPAC Name: 1-(4,5-dimethyl-2-methylsulfonylanilino)-3-[3-(3,5-dimethylphenoxy)propyl]urea Traditional Name: 1-[3-(3,5-dimethylphenoxy)propyl]-3-(2-mesyl-4,5-dimethyl-anilino)urea Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H29N3O4S/c1-14-9-15(2)11-18(10-14)28-8-6-7-22-21(25)24-23-19-12-16(3)17(4)13-20(19)29(5,26)27/h9-13,23H,6-8H2,1-5H3,(H2,22,24,25)