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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-phenylbutyl)pyrrolidine-2-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-phenylbutyl)pyrrolidine-2-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-phenylbutyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-phenylbutyl)pyrrolidine-2-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-phenylbutyl)pyrrolidine-2-carboxamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CCC(CNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O5S/c1-2-17(18-7-4-3-5-8-18)16-24-23(26)20-9-6-12-25(20)31(27,28)19-10-11-21-22(15-19)30-14-13-29-21/h3-5,7-8,10-11,15,17,20H,2,6,9,12-14,16H2,1H3,(H,24,26)