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

Systemtic Name: N-(2-benzamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-(2-benzamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-benzamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-benzamidoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)NCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O6S/c26-21(16-5-2-1-3-6-16)23-10-11-24-22(27)18-7-4-12-25(18)32(28,29)17-8-9-19-20(15-17)31-14-13-30-19/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,23,26)(H,24,27)