4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenyl-piperazine hydrochloride

Systemtic Name: 4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenyl-piperazine hydrochloride Openeye Name: 4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenyl-piperazine hydrochloride CAS Name: 4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenylpiperazine hydrochloride IUPAC Name: 4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenylpiperazine hydrochloride Traditional Name: 4-methyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-2-phenyl-piperazine hydrochloride Formula: C22H31ClN2O2S MolecularWeight: 423.01174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2C3=CC=CC=C3)C)C)C.Cl

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2C3=CC=CC=C3)C)C)C.Cl

InChI

InChI=1S/C22H30N2O2S.ClH/c1-15-16(2)18(4)22(19(5)17(15)3)27(25,26)24-13-12-23(6)14-21(24)20-10-8-7-9-11-20;/h7-11,21H,12-14H2,1-6H3;1H