N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(2-cyanophenyl)sulfonyl-N-methyl-isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H33N3O3S/c1-27(17-25-13-18-10-19(14-25)12-20(11-18)15-25)24(29)21-6-8-28(9-7-21)32(30,31)23-5-3-2-4-22(23)16-26/h2-5,18-21H,6-15,17H2,1H3