7-(2-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride

Systemtic Name: 7-(2-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride Openeye Name: 7-(2-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline hydrochloride CAS Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1-piperazinyl)isoquinoline hydrochloride IUPAC Name: 7-(2-tert-butylphenyl)sulfonyl-1-piperazin-1-ylisoquinoline hydrochloride Traditional Name: 7-(2-tert-butylphenyl)sulfonyl-1-piperazino-isoquinoline hydrochloride Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4.Cl

InChI

InChI=1S/C23H27N3O2S.ClH/c1-23(2,3)20-6-4-5-7-21(20)29(27,28)18-9-8-17-10-11-25-22(19(17)16-18)26-14-12-24-13-15-26;/h4-11,16,24H,12-15H2,1-3H3;1H