8-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]isoquinolin-7-ol Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC4=C3C=NC=C4)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC4=C3C=NC=C4)O

InChI

InChI=1S/C20H28N4O3S/c25-20-6-5-17-7-8-21-15-18(17)19(20)16-22-11-13-24(14-12-22)28(26,27)23-9-3-1-2-4-10-23/h5-8,15,25H,1-4,9-14,16H2