methyl N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanoyl]carbamate

Systemtic Name: methyl N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethanoyl]carbamate Openeye Name: methyl N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]acetyl]carbamic acid methyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H23N3O7S/c1-25-17(22)18-16(21)12-19-5-7-20(8-6-19)28(23,24)13-3-4-14-15(11-13)27-10-2-9-26-14/h3-4,11H,2,5-10,12H2,1H3,(H,18,21,22)