1-[[2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[[2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]-3-pyridin-3-yl-urea Openeye Name: 1-[[2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]-3-(3-pyridyl)urea CAS Name: 1-[[2-[(4-ethylsulfonyl-1-piperazinyl)methyl]-1,3-benzoxazol-4-yl]methyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[[2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazol-4-yl]methyl]-3-pyridin-3-ylurea Traditional Name: 1-[[2-[(4-esylpiperazino)methyl]-1,3-benzoxazol-4-yl]methyl]-3-(3-pyridyl)urea Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=NC3=C(C=CC=C3O2)CNC(=O)NC4=CN=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=NC3=C(C=CC=C3O2)CNC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H26N6O4S/c1-2-32(29,30)27-11-9-26(10-12-27)15-19-25-20-16(5-3-7-18(20)31-19)13-23-21(28)24-17-6-4-8-22-14-17/h3-8,14H,2,9-13,15H2,1H3,(H2,23,24,28)