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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-methyl-N-o-anisyl-acetamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H31N3O6S/c1-25(17-19-6-3-4-7-21(19)31-2)24(28)18-26-10-12-27(13-11-26)34(29,30)20-8-9-22-23(16-20)33-15-5-14-32-22/h3-4,6-9,16H,5,10-15,17-18H2,1-2H3