1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-ketopyrrolidino)phenyl]isonipecotamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H29N3O6S/c29-24-3-1-12-28(24)20-6-4-19(5-7-20)26-25(30)18-10-13-27(14-11-18)35(31,32)21-8-9-22-23(17-21)34-16-2-15-33-22/h4-9,17-18H,1-3,10-16H2,(H,26,30)