1-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(2-methylbenzyl)sulfonyl-N-[3-(4-methylpiperazino)propyl]isonipecotamide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C22H36N4O3S/c1-19-6-3-4-7-21(19)18-30(28,29)26-12-8-20(9-13-26)22(27)23-10-5-11-25-16-14-24(2)15-17-25/h3-4,6-7,20H,5,8-18H2,1-2H3,(H,23,27)