7-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride

Systemtic Name: 7-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride Openeye Name: 7-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride CAS Name: 7-(2,5-dimethylphenyl)sulfonyl-1-(1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 7-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-ylisoquinoline hydrochloride Traditional Name: 7-(2,5-dimethylphenyl)sulfonyl-1-piperazino-isoquinoline hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

InChI

InChI=1S/C21H23N3O2S.ClH/c1-15-3-4-16(2)20(13-15)27(25,26)18-6-5-17-7-8-23-21(19(17)14-18)24-11-9-22-10-12-24;/h3-8,13-14,22H,9-12H2,1-2H3;1H