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

Systemtic Name: N-butan-2-yl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-sec-butyl-piperidine-4-carboxamide CAS Name: N-butan-2-yl-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-butan-2-yl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-sec-butyl-isonipecotamide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C

Isomeric SMILES

CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C

InChI

InChI=1S/C18H28N2O3S/c1-4-15(3)19-18(21)17-8-10-20(11-9-17)24(22,23)13-16-7-5-6-14(2)12-16/h5-7,12,15,17H,4,8-11,13H2,1-3H3,(H,19,21)