(2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H30N2O5S/c26-22(24-23-12-15-8-16(13-23)10-17(9-15)14-23)19-2-1-5-25(19)31(27,28)18-3-4-20-21(11-18)30-7-6-29-20/h3-4,11,15-17,19H,1-2,5-10,12-14H2,(H,24,26)/t15?,16?,17?,19-,23?/m0/s1