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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-N-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-keto-2-(4-methylpiperazino)ethyl]-N-methyl-isonipecotamide Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1CCN(CC1)C(=O)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H34N4O6S/c1-24-10-12-26(13-11-24)22(28)17-25(2)23(29)18-6-8-27(9-7-18)34(30,31)19-4-5-20-21(16-19)33-15-3-14-32-20/h4-5,16,18H,3,6-15,17H2,1-2H3