3-(1-methylsulfonylpiperidin-4-yl)-1-phenyl-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea

Systemtic Name: 3-(1-methylsulfonylpiperidin-4-yl)-1-phenyl-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(1-methylsulfonyl-4-piperidyl)-1-phenyl-urea CAS Name: 3-(1-methylsulfonyl-4-piperidinyl)-1-phenyl-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(1-methylsulfonylpiperidin-4-yl)-1-phenylurea Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-(1-mesyl-4-piperidyl)-1-phenyl-urea Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H40N4O3S/c1-36(34,35)31-21-15-26(16-22-31)29-28(33)32(27-11-6-3-7-12-27)18-8-17-30-19-13-25(14-20-30)23-24-9-4-2-5-10-24/h2-7,9-12,25-26H,8,13-23H2,1H3,(H,29,33)