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

Systemtic Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H36N2O3S/c1-17-3-4-23(9-18(17)2)31(29,30)27-7-5-22(6-8-27)24(28)26-16-25-13-19-10-20(14-25)12-21(11-19)15-25/h3-4,9,19-22H,5-8,10-16H2,1-2H3,(H,26,28)