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

Systemtic Name: methyl 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H28N2O7S/c1-28-21(25)17-4-2-9-23(17)20(24)15-7-10-22(11-8-15)31(26,27)16-5-6-18-19(14-16)30-13-3-12-29-18/h5-6,14-15,17H,2-4,7-13H2,1H3