7-(2-chloranyl-6-methyl-phenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride

Systemtic Name: 7-(2-chloranyl-6-methyl-phenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Openeye Name: 7-(2-chloro-6-methyl-phenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride CAS Name: 7-(2-chloro-6-methylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride IUPAC Name: 7-(2-chloro-6-methylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Traditional Name: 7-(2-chloro-6-methyl-phenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Formula: C21H23Cl2N3O2S MolecularWeight: 452.39722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCCNCC4.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCCNCC4.Cl

InChI

InChI=1S/C21H22ClN3O2S.ClH/c1-15-4-2-5-19(22)20(15)28(26,27)17-7-6-16-8-10-24-21(18(16)14-17)25-12-3-9-23-11-13-25;/h2,4-8,10,14,23H,3,9,11-13H2,1H3;1H