5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrate dihydrochloride Formula: C28H38Cl2N6O5S2 MolecularWeight: 673.67452

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.O.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.O.Cl.Cl

InChI

InChI=1S/2C14H17N3O2S.2ClH.H2O/c2*18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;;;/h2*1,3-5,7,11,15H,2,6,8-10H2;2*1H;1H2