1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonyl-isoquinoline hydrochloride

Systemtic Name: 1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonyl-isoquinoline hydrochloride Openeye Name: 1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonyl-isoquinoline hydrochloride CAS Name: 1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonylisoquinoline hydrochloride IUPAC Name: 1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonylisoquinoline hydrochloride Traditional Name: 1-(1,4-diazepan-1-yl)-7-(3,4-dichlorophenyl)sulfonyl-isoquinoline hydrochloride Formula: C20H20Cl3N3O2S MolecularWeight: 472.8157

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl

Isomeric SMILES

C1CNCCN(C1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl

InChI

InChI=1S/C20H19Cl2N3O2S.ClH/c21-18-5-4-16(13-19(18)22)28(26,27)15-3-2-14-6-8-24-20(17(14)12-15)25-10-1-7-23-9-11-25;/h2-6,8,12-13,23H,1,7,9-11H2;1H