(3R)-N-(2-adamantylideneamino)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(2-adamantylideneamino)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(2-adamantylideneamino)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-(2-adamantylideneamino)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(2-adamantylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(2-adamantylideneamino)-1-tosyl-nipecotamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NN=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H31N3O3S/c1-15-4-6-21(7-5-15)30(28,29)26-8-2-3-18(14-26)23(27)25-24-22-19-10-16-9-17(12-19)13-20(22)11-16/h4-7,16-20H,2-3,8-14H2,1H3,(H,25,27)/t16?,17?,18-,19?,20?/m1/s1