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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-ethanoylphenyl)pyrrolidine-2-carboxamide Openeye Name: N-(3-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O6S/c1-14(24)15-4-2-5-16(12-15)22-21(25)18-6-3-9-23(18)30(26,27)17-7-8-19-20(13-17)29-11-10-28-19/h2,4-5,7-8,12-13,18H,3,6,9-11H2,1H3,(H,22,25)