4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-1-(phenylmethyl)pyrrolidin-2-one

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-1-(phenylmethyl)pyrrolidin-2-one Openeye Name: 1-benzyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrrolidin-2-one CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-1-(phenylmethyl)-2-pyrrolidinone IUPAC Name: 1-benzyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]pyrrolidin-2-one Traditional Name: 1-benzyl-4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-pyrrolidone Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CC(=O)N(C4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4CC(=O)N(C4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C25H29N3O6S/c29-24-15-20(18-27(24)17-19-5-2-1-3-6-19)25(30)26-9-11-28(12-10-26)35(31,32)21-7-8-22-23(16-21)34-14-4-13-33-22/h1-3,5-8,16,20H,4,9-15,17-18H2