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

Systemtic Name: 7-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride Openeye Name: 7-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride CAS Name: 7-(3,4-dichlorophenyl)sulfonyl-1-(1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 7-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-ylisoquinoline hydrochloride Traditional Name: 7-(3,4-dichlorophenyl)sulfonyl-1-piperazino-isoquinoline hydrochloride Formula: C19H18Cl3N3O2S MolecularWeight: 458.78912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC=CC3=C2C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl

InChI

InChI=1S/C19H17Cl2N3O2S.ClH/c20-17-4-3-15(12-18(17)21)27(25,26)14-2-1-13-5-6-23-19(16(13)11-14)24-9-7-22-8-10-24;/h1-6,11-12,22H,7-10H2;1H