3-chloranyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline

Systemtic Name: 3-chloranyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline Openeye Name: 3-chloro-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]aniline CAS Name: 3-chloro-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidinyl]propyl]aniline IUPAC Name: 3-chloro-N-[3-[4-[(4-methylsulfonylphenyl)methyl]piperidin-1-yl]propyl]aniline Traditional Name: (3-chlorophenyl)-[3-[4-(4-mesylbenzyl)piperidino]propyl]amine Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCNC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC2CCN(CC2)CCCNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-28(26,27)22-8-6-18(7-9-22)16-19-10-14-25(15-11-19)13-3-12-24-21-5-2-4-20(23)17-21/h2,4-9,17,19,24H,3,10-16H2,1H3