(2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H]2C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O5S/c1-29-18-5-6-20(30-2)21(11-18)31(27,28)25-7-3-4-19(25)22(26)24-23-12-15-8-16(13-23)10-17(9-15)14-23/h5-6,11,15-17,19H,3-4,7-10,12-14H2,1-2H3,(H,24,26)/t15?,16?,17?,19-,23?/m0/s1