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

Systemtic Name: (2S)-N-(4-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-acetamidophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O6S/c1-14(25)22-15-4-6-16(7-5-15)23-21(26)18-3-2-10-24(18)31(27,28)17-8-9-19-20(13-17)30-12-11-29-19/h4-9,13,18H,2-3,10-12H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1