1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]phenyl]ethyl]-1-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]phenyl]ethyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]phenyl]ethyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)-1-piperazinyl]methyl]phenyl]ethyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]phenyl]ethyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[(1S)-1-[3-[[4-(dimethylsulfamoyl)piperazino]methyl]phenyl]ethyl]-1-(6-methyl-3-pyridyl)urea Formula: C22H32N6O3S MolecularWeight: 460.59288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N(C(C)C2=CC=CC(=C2)CN3CCN(CC3)S(=O)(=O)N(C)C)C(=O)N

Isomeric SMILES

CC1=NC=C(C=C1)N([C@@H](C)C2=CC=CC(=C2)CN3CCN(CC3)S(=O)(=O)N(C)C)C(=O)N

InChI

InChI=1S/C22H32N6O3S/c1-17-8-9-21(15-24-17)28(22(23)29)18(2)20-7-5-6-19(14-20)16-26-10-12-27(13-11-26)32(30,31)25(3)4/h5-9,14-15,18H,10-13,16H2,1-4H3,(H2,23,29)/t18-/m0/s1