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

Systemtic Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-indol-1-yl-propan-1-one Openeye Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-indol-1-yl-propan-1-one CAS Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-3-(1-indolyl)-1-propanone IUPAC Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-3-indol-1-ylpropan-1-one Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-3-indol-1-yl-propan-1-one Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C=CC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CCN4C=CC5=CC=CC=C54)OC1

InChI

InChI=1S/C24H27N3O5S/c28-24(9-11-25-10-8-19-4-1-2-5-21(19)25)26-12-14-27(15-13-26)33(29,30)20-6-7-22-23(18-20)32-17-3-16-31-22/h1-2,4-8,10,18H,3,9,11-17H2