1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]proline Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)O

InChI

InChI=1S/C20H26N2O7S/c23-19(22-8-1-3-16(22)20(24)25)14-6-9-21(10-7-14)30(26,27)15-4-5-17-18(13-15)29-12-2-11-28-17/h4-5,13-14,16H,1-3,6-12H2,(H,24,25)