N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[4-(2-pyridyl)piperazino]sulfonyl-benzamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=N5)OC1

InChI

InChI=1S/C25H26N4O5S/c30-25(27-20-8-9-22-23(18-20)34-16-4-15-33-22)19-5-3-6-21(17-19)35(31,32)29-13-11-28(12-14-29)24-7-1-2-10-26-24/h1-3,5-10,17-18H,4,11-16H2,(H,27,30)