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

Systemtic Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Openeye Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridyl)urea CAS Name: 1-[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]methyl]-1-(6-methyl-3-pyridinyl)urea IUPAC Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]-1-(6-methylpyridin-3-yl)urea Traditional Name: 1-[3-[(4-esylpiperazino)methyl]benzyl]-1-(6-methyl-3-pyridyl)urea Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-3-30(28,29)25-11-9-24(10-12-25)15-18-5-4-6-19(13-18)16-26(21(22)27)20-8-7-17(2)23-14-20/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H2,22,27)