1-butyl-1-[1-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidin-4-yl]-3-phenyl-urea

Systemtic Name: 1-butyl-1-[1-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidin-4-yl]-3-phenyl-urea Openeye Name: 1-butyl-1-[1-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]-4-piperidyl]-3-phenyl-urea CAS Name: 1-butyl-1-[1-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]-4-pyrazolyl]-4-piperidinyl]-3-phenylurea IUPAC Name: 1-butyl-1-[1-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidin-4-yl]-3-phenylurea Traditional Name: 1-butyl-1-[1-[3-ethyl-1-(4-mesylbenzyl)pyrazol-4-yl]-4-piperidyl]-3-phenyl-urea Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCN(CC1)C2=CN(N=C2CC)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCN(C1CCN(CC1)C2=CN(N=C2CC)CC3=CC=C(C=C3)S(=O)(=O)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H39N5O3S/c1-4-6-18-34(29(35)30-24-10-8-7-9-11-24)25-16-19-32(20-17-25)28-22-33(31-27(28)5-2)21-23-12-14-26(15-13-23)38(3,36)37/h7-15,22,25H,4-6,16-21H2,1-3H3,(H,30,35)