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

Systemtic Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylate IUPAC Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]amino]cyclohexanecarboxylate Formula: C22H29N2O7S- MolecularWeight: 465.53986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)(C(=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H30N2O7S/c25-20(23-22(21(26)27)9-2-1-3-10-22)16-7-11-24(12-8-16)32(28,29)17-5-6-18-19(15-17)31-14-4-13-30-18/h5-6,15-16H,1-4,7-14H2,(H,23,25)(H,26,27)/p-1