1-[[1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidin-2-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[[1-(5-bromanyl-2-ethoxy-phenyl)sulfonylpiperidin-2-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[1-(5-bromo-2-ethoxy-phenyl)sulfonyl-2-piperidyl]methyl]-3-phenyl-urea CAS Name: 1-[[1-(5-bromo-2-ethoxyphenyl)sulfonyl-2-piperidinyl]methyl]-3-phenylurea IUPAC Name: 1-[[1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidin-2-yl]methyl]-3-phenylurea Traditional Name: 1-[[1-(5-bromo-2-ethoxy-phenyl)sulfonyl-2-piperidyl]methyl]-3-phenyl-urea Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCCC2CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCCCC2CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O4S/c1-2-29-19-12-11-16(22)14-20(19)30(27,28)25-13-7-6-10-18(25)15-23-21(26)24-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,18H,2,6-7,10,13,15H2,1H3,(H2,23,24,26)