5-(1,4-diazepin-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride

Systemtic Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride Openeye Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride CAS Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methoxyisoquinoline dihydrochloride IUPAC Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methoxyisoquinoline dihydrochloride Traditional Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3C=CC=NC=C3.Cl.Cl

Isomeric SMILES

COC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3C=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C15H13N3O3S.2ClH/c1-21-13-11-17-10-12-4-2-5-14(15(12)13)22(19,20)18-8-3-6-16-7-9-18;;/h2-11H,1H3;2*1H