1-[(4-tert-butylphenyl)methyl]-4-(3-chloranyl-4-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(3-chloranyl-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(3-chloro-4-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(3-chloro-4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(3-chloro-4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-(3-chloro-4-methyl-phenyl)sulfonyl-piperazine Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C22H29ClN2O2S/c1-17-5-10-20(15-21(17)23)28(26,27)25-13-11-24(12-14-25)16-18-6-8-19(9-7-18)22(2,3)4/h5-10,15H,11-14,16H2,1-4H3