[2-oxidanylidene-2-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(3-benzyl-2-oxo-imidazolidin-1-yl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[2-oxo-3-(phenylmethyl)-1-imidazolidinyl]ethyl] ester IUPAC Name: [2-(3-benzyl-2-oxoimidazolidin-1-yl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(3-benzyl-2-keto-imidazolidin-1-yl)-2-keto-ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O6S/c29-23(28-16-15-26(25(28)31)18-20-9-4-3-5-10-20)19-34-24(30)21-11-8-12-22(17-21)35(32,33)27-13-6-1-2-7-14-27/h3-5,8-12,17H,1-2,6-7,13-16,18-19H2