3-(2-methoxy-5-methyl-phenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-1-(3-pyridylmethyl)urea CAS Name: 3-(2-methoxy-5-methylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-[1-(2-mesylbenzyl)-4-piperidyl]-3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)urea Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C28H34N4O4S/c1-21-10-11-26(36-2)25(17-21)30-28(33)32(19-22-7-6-14-29-18-22)24-12-15-31(16-13-24)20-23-8-4-5-9-27(23)37(3,34)35/h4-11,14,17-18,24H,12-13,15-16,19-20H2,1-3H3,(H,30,33)