8-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine

Systemtic Name: 8-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Openeye Name: 8-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine CAS Name: 8-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine IUPAC Name: 8-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Traditional Name: 8-[(4-mesyl-1,4-diazepan-1-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(C=C2)SC4=NC=CN=C4N3

InChI

InChI=1S/C17H21N5O2S2/c1-26(23,24)22-8-2-7-21(9-10-22)12-13-3-4-15-14(11-13)20-16-17(25-15)19-6-5-18-16/h3-6,11H,2,7-10,12H2,1H3,(H,18,20)