3-(4-chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenyl-urea hydrochloride

Systemtic Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenyl-urea hydrochloride Openeye Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]-1-phenyl-urea hydrochloride CAS Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]-1-phenylurea hydrochloride IUPAC Name: 3-(4-chlorophenyl)-1-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]-1-phenylurea hydrochloride Traditional Name: 3-(4-chlorophenyl)-1-[3-[4-(4-mesylbenzyl)piperidino]propyl]-1-phenyl-urea hydrochloride Formula: C29H35Cl2N3O3S MolecularWeight: 576.5775

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C29H34ClN3O3S.ClH/c1-37(35,36)28-14-8-23(9-15-28)22-24-16-20-32(21-17-24)18-5-19-33(27-6-3-2-4-7-27)29(34)31-26-12-10-25(30)11-13-26;/h2-4,6-15,24H,5,16-22H2,1H3,(H,31,34);1H