4-methyl-1-(3-methyl-4-propan-2-yloxy-phenyl)sulfonyl-2-phenyl-piperazine hydrochloride

Systemtic Name: 4-methyl-1-(3-methyl-4-propan-2-yloxy-phenyl)sulfonyl-2-phenyl-piperazine hydrochloride Openeye Name: 1-(4-isopropoxy-3-methyl-phenyl)sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride CAS Name: 4-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-2-phenylpiperazine hydrochloride IUPAC Name: 4-methyl-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-2-phenylpiperazine hydrochloride Traditional Name: 1-(4-isopropoxy-3-methyl-phenyl)sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2C3=CC=CC=C3)C)OC(C)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2C3=CC=CC=C3)C)OC(C)C.Cl

InChI

InChI=1S/C21H28N2O3S.ClH/c1-16(2)26-21-11-10-19(14-17(21)3)27(24,25)23-13-12-22(4)15-20(23)18-8-6-5-7-9-18;/h5-11,14,16,20H,12-13,15H2,1-4H3;1H