1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-[(4-methylphenyl)sulfonyl-piperidin-4-yl-methyl]phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-[(4-methylphenyl)sulfonyl-piperidin-4-yl-methyl]phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[4-piperidyl(p-tolylsulfonyl)methyl]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[3-[(4-methylphenyl)sulfonyl-(4-piperidinyl)methyl]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[3-[(4-methylphenyl)sulfonyl-piperidin-4-ylmethyl]phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[3-[4-piperidyl(tosyl)methyl]phenyl]urea Formula: C34H41N5O3S MolecularWeight: 599.78604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(C4CCNCC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(C4CCNCC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H41N5O3S/c1-23-9-13-28(14-10-23)39-31(22-30(38-39)34(3,4)5)37-33(40)36-27-8-6-7-26(21-27)32(25-17-19-35-20-18-25)43(41,42)29-15-11-24(2)12-16-29/h6-16,21-22,25,32,35H,17-20H2,1-5H3,(H2,36,37,40)