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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-pyridylmethyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(4-pyridylmethyl)piperazine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=NC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=NC=C4)OC1

InChI

InChI=1S/C19H23N3O4S/c23-27(24,17-2-3-18-19(14-17)26-13-1-12-25-18)22-10-8-21(9-11-22)15-16-4-6-20-7-5-16/h2-7,14H,1,8-13,15H2