5-(1,4-diazepin-1-ylsulfonyl)-4-methyl-isoquinoline hydrochloride

Systemtic Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methyl-isoquinoline hydrochloride Openeye Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methyl-isoquinoline hydrochloride CAS Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methylisoquinoline hydrochloride IUPAC Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methylisoquinoline hydrochloride Traditional Name: 5-(1,4-diazepin-1-ylsulfonyl)-4-methyl-isoquinoline hydrochloride Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3C=CC=NC=C3.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3C=CC=NC=C3.Cl

InChI

InChI=1S/C15H13N3O2S.ClH/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18;/h2-11H,1H3;1H