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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-ethylhexyl)pyrrolidine-2-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-ethylhexyl)pyrrolidine-2-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-ethylhexyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-ethylhexyl)pyrrolidine-2-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-ethylhexyl)pyrrolidine-2-carboxamide Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC(CC)CNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H32N2O5S/c1-3-5-7-16(4-2)15-22-21(24)18-8-6-11-23(18)29(25,26)17-9-10-19-20(14-17)28-13-12-27-19/h9-10,14,16,18H,3-8,11-13,15H2,1-2H3,(H,22,24)