1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-methyl-phenyl]methyl]-3-(6-methylpyridin-3-yl)urea

Systemtic Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-methyl-phenyl]methyl]-3-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-methyl-phenyl]methyl]-3-(6-methyl-3-pyridyl)urea CAS Name: 1-[[5-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-methylphenyl]methyl]-3-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-methylphenyl]methyl]-3-(6-methylpyridin-3-yl)urea Traditional Name: 1-[5-[(4-esylpiperazino)methyl]-2-methyl-benzyl]-3-(6-methyl-3-pyridyl)urea Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C)CNC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)C)CNC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C22H31N5O3S/c1-4-31(29,30)27-11-9-26(10-12-27)16-19-7-5-17(2)20(13-19)14-24-22(28)25-21-8-6-18(3)23-15-21/h5-8,13,15H,4,9-12,14,16H2,1-3H3,(H2,24,25,28)