N-[1-(phenylmethyl)piperidin-4-yl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-mesitylsulfonyl-isonipecotamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H37N3O3S/c1-20-17-21(2)26(22(3)18-20)34(32,33)30-15-9-24(10-16-30)27(31)28-25-11-13-29(14-12-25)19-23-7-5-4-6-8-23/h4-8,17-18,24-25H,9-16,19H2,1-3H3,(H,28,31)