1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1CC(N(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C20H28N4O6S/c21-20(26)16-3-1-6-23(16)14-19(25)22-7-9-24(10-8-22)31(27,28)15-4-5-17-18(13-15)30-12-2-11-29-17/h4-5,13,16H,1-3,6-12,14H2,(H2,21,26)