(2S,3R)-N-(1-adamantylmethyl)-2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-amine

Systemtic Name: (2S,3R)-N-(1-adamantylmethyl)-2-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-amine Openeye Name: (2S,3R)-N-(1-adamantylmethyl)-2-methyl-1-(p-tolylsulfonyl)pyrrolidin-3-amine CAS Name: (2S,3R)-N-(1-adamantylmethyl)-2-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinamine IUPAC Name: (2S,3R)-N-(1-adamantylmethyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine Traditional Name: 1-adamantylmethyl-[(2S,3R)-2-methyl-1-tosyl-pyrrolidin-3-yl]amine Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN1S(=O)(=O)C2=CC=C(C=C2)C)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1[C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H34N2O2S/c1-16-3-5-21(6-4-16)28(26,27)25-8-7-22(17(25)2)24-15-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-6,17-20,22,24H,7-15H2,1-2H3/t17-,18?,19?,20?,22+,23?/m0/s1