3-(3-ethanoylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 3-(3-ethanoylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-(3-acetylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1-(3-pyridylmethyl)urea CAS Name: 3-(3-acetylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 3-(3-acetylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 3-(3-acetylphenyl)-1-[1-(2-mesylbenzyl)-4-piperidyl]-1-(3-pyridylmethyl)urea Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C28H32N4O4S/c1-21(33)23-9-5-10-25(17-23)30-28(34)32(19-22-7-6-14-29-18-22)26-12-15-31(16-13-26)20-24-8-3-4-11-27(24)37(2,35)36/h3-11,14,17-18,26H,12-13,15-16,19-20H2,1-2H3,(H,30,34)