1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-isonipecotamide Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O7S/c1-25(16-22(27)24-15-18-4-2-11-31-18)23(28)17-7-9-26(10-8-17)34(29,30)19-5-6-20-21(14-19)33-13-3-12-32-20/h2,4-6,11,14,17H,3,7-10,12-13,15-16H2,1H3,(H,24,27)