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

Systemtic Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-phenylpiperazino)methanone Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C25H31N3O5S/c29-25(27-15-13-26(14-16-27)21-5-2-1-3-6-21)20-9-11-28(12-10-20)34(30,31)22-7-8-23-24(19-22)33-18-4-17-32-23/h1-3,5-8,19-20H,4,9-18H2