1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O6S2/c1-16-3-7-21(31-16)18(25)5-8-22(26)23-9-11-24(12-10-23)32(27,28)17-4-6-19-20(15-17)30-14-2-13-29-19/h3-4,6-7,15H,2,5,8-14H2,1H3