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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(4-methoxy-1-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-methoxy-1-phenylpyrazol-3-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O6S/c1-32-22-17-28(18-6-3-2-4-7-18)25-23(22)24(29)26-10-12-27(13-11-26)35(30,31)19-8-9-20-21(16-19)34-15-5-14-33-20/h2-4,6-9,16-17H,5,10-15H2,1H3