1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-4-(4-methoxyphenoxy)butan-1-one Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H30N2O7S/c1-30-19-5-7-20(8-6-19)31-15-2-4-24(27)25-11-13-26(14-12-25)34(28,29)21-9-10-22-23(18-21)33-17-3-16-32-22/h5-10,18H,2-4,11-17H2,1H3