4-piperazin-1-yl-6-(4-propan-2-ylphenyl)sulfonyl-quinoline hydrochloride

Systemtic Name: 4-piperazin-1-yl-6-(4-propan-2-ylphenyl)sulfonyl-quinoline hydrochloride Openeye Name: 6-(4-isopropylphenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride CAS Name: 4-(1-piperazinyl)-6-(4-propan-2-ylphenyl)sulfonylquinoline hydrochloride IUPAC Name: 4-piperazin-1-yl-6-(4-propan-2-ylphenyl)sulfonylquinoline hydrochloride Traditional Name: 6-p-cumenylsulfonyl-4-piperazino-quinoline hydrochloride Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CN=C3C=C2)N4CCNCC4.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=CN=C3C=C2)N4CCNCC4.Cl

InChI

InChI=1S/C22H25N3O2S.ClH/c1-16(2)17-3-5-18(6-4-17)28(26,27)19-7-8-21-20(15-19)22(9-10-24-21)25-13-11-23-12-14-25;/h3-10,15-16,23H,11-14H2,1-2H3;1H