1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-[(2S)-2-methylpiperidino]ethanone Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H]1CCCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H31N3O5S/c1-17-5-2-3-8-23(17)16-21(25)22-9-11-24(12-10-22)30(26,27)18-6-7-19-20(15-18)29-14-4-13-28-19/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/m0/s1