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

Systemtic Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-methyl-phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-methyl-phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-4-methylphenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-methylphenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-esylpiperazino)methyl]-4-methyl-benzyl]-1-(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=C(C=CC(=C2)CN(C3=CN=C(C=C3)C)C(=O)N)C

Isomeric SMILES

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

InChI

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