1-[(3-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide Openeye Name: N-(3-morpholinopropyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[3-(4-morpholinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-(3-morpholinopropyl)isonipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C21H33N3O4S/c1-18-4-2-5-19(16-18)17-29(26,27)24-10-6-20(7-11-24)21(25)22-8-3-9-23-12-14-28-15-13-23/h2,4-5,16,20H,3,6-15,17H2,1H3,(H,22,25)