[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)-3-piperidyl]methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-[1-(3-phenylpropylsulfonyl)-3-piperidyl]methanone Formula: C26H34ClN3O3S MolecularWeight: 504.08446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H34ClN3O3S/c1-21-11-12-24(27)19-25(21)28-14-16-29(17-15-28)26(31)23-10-5-13-30(20-23)34(32,33)18-6-9-22-7-3-2-4-8-22/h2-4,7-8,11-12,19,23H,5-6,9-10,13-18,20H2,1H3