N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyridin-3-ylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyridin-3-ylsulfonyl-piperazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3-pyridylsulfonyl)piperazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3-pyridinylsulfonyl)-1-piperazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3-pyridylsulfonyl)piperazine-1-carboxamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)OC1

InChI

InChI=1S/C19H22N4O5S/c24-19(21-15-4-5-17-18(13-15)28-12-2-11-27-17)22-7-9-23(10-8-22)29(25,26)16-3-1-6-20-14-16/h1,3-6,13-14H,2,7-12H2,(H,21,24)