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

Systemtic Name: 7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Openeye Name: 7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride CAS Name: 7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride IUPAC Name: 7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Traditional Name: 7-(4-chlorophenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S.ClH/c21-16-3-6-17(7-4-16)27(25,26)18-5-2-15-8-10-23-20(19(15)14-18)24-12-1-9-22-11-13-24;/h2-8,10,14,22H,1,9,11-13H2;1H