4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-phenethyl-piperazine-1-carboxamide

Systemtic Name: 4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-phenethyl-piperazine-1-carboxamide Openeye Name: 4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-N-phenethyl-piperazine-1-carboxamide CAS Name: 4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-N-phenethyl-1-piperazinecarboxamide IUPAC Name: 4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-phenethylpiperazine-1-carboxamide Traditional Name: 4-[1-(2-mesylbenzyl)-4-piperidyl]-N-phenethyl-piperazine-1-carboxamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-34(32,33)25-10-6-5-9-23(25)21-28-15-12-24(13-16-28)29-17-19-30(20-18-29)26(31)27-14-11-22-7-3-2-4-8-22/h2-10,24H,11-21H2,1H3,(H,27,31)