6-(4-tert-butyl-2-methyl-phenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride

Systemtic Name: 6-(4-tert-butyl-2-methyl-phenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride Openeye Name: 6-(4-tert-butyl-2-methyl-phenyl)sulfonyl-4-piperazin-1-yl-quinoline hydrochloride CAS Name: 6-(4-tert-butyl-2-methylphenyl)sulfonyl-4-(1-piperazinyl)quinoline hydrochloride IUPAC Name: 6-(4-tert-butyl-2-methylphenyl)sulfonyl-4-piperazin-1-ylquinoline hydrochloride Traditional Name: 6-(4-tert-butyl-2-methyl-phenyl)sulfonyl-4-piperazino-quinoline hydrochloride Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S.ClH/c1-17-15-18(24(2,3)4)5-8-23(17)30(28,29)19-6-7-21-20(16-19)22(9-10-26-21)27-13-11-25-12-14-27;/h5-10,15-16,25H,11-14H2,1-4H3;1H