6-(3,4-dimethylphenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride

Systemtic Name: 6-(3,4-dimethylphenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride Openeye Name: 6-(3,4-dimethylphenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride CAS Name: 6-(3,4-dimethylphenyl)sulfonyl-4-(1-piperazinyl)quinoline hydrochloride IUPAC Name: 6-(3,4-dimethylphenyl)sulfonyl-4-piperazin-1-ylquinoline hydrochloride Traditional Name: 6-(3,4-dimethylphenyl)sulfonyl-4-piperazino-quinoline hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CN=C3C=C2)N4CCNCC4)C.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CN=C3C=C2)N4CCNCC4)C.Cl

InChI

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