3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-[(4-methylsulfonylphenyl)methyl]-1-(4-propan-2-ylphenyl)urea

Systemtic Name: 3-(3-azanyl-5-chloranyl-2,6-diethyl-phenyl)-1-[(4-methylsulfonylphenyl)methyl]-1-(4-propan-2-ylphenyl)urea Openeye Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-isopropylphenyl)-1-[(4-methylsulfonylphenyl)methyl]urea CAS Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-[(4-methylsulfonylphenyl)methyl]-1-(4-propan-2-ylphenyl)urea IUPAC Name: 3-(3-amino-5-chloro-2,6-diethylphenyl)-1-[(4-methylsulfonylphenyl)methyl]-1-(4-propan-2-ylphenyl)urea Traditional Name: 3-(3-amino-5-chloro-2,6-diethyl-phenyl)-1-(4-mesylbenzyl)-1-p-cumenyl-urea Formula: C28H34ClN3O3S MolecularWeight: 528.10586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1N)Cl)CC)NC(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C28H34ClN3O3S/c1-6-23-25(29)16-26(30)24(7-2)27(23)31-28(33)32(21-12-10-20(11-13-21)18(3)4)17-19-8-14-22(15-9-19)36(5,34)35/h8-16,18H,6-7,17,30H2,1-5H3,(H,31,33)