N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methyl-isonipecotamide Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H38N2O3S/c1-18-4-5-24(10-19(18)2)32(30,31)28-8-6-23(7-9-28)25(29)27(3)17-26-14-20-11-21(15-26)13-22(12-20)16-26/h4-5,10,20-23H,6-9,11-17H2,1-3H3