2H-chromen-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: 2H-chromen-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: 2H-chromen-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: 2H-chromen-3-yl-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4)OC1

InChI

InChI=1S/C23H24N2O6S/c26-23(18-14-17-4-1-2-5-20(17)31-16-18)24-8-10-25(11-9-24)32(27,28)19-6-7-21-22(15-19)30-13-3-12-29-21/h1-2,4-7,14-15H,3,8-13,16H2