ethyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O7S/c1-2-30-23(27)17-3-5-18(6-4-17)24-22(26)16-9-11-25(12-10-16)33(28,29)19-7-8-20-21(15-19)32-14-13-31-20/h3-8,15-16H,2,9-14H2,1H3,(H,24,26)