1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Openeye Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine CAS Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine IUPAC Name: 1-(5-bromo-2-methoxyphenyl)sulfonyl-4-[(4-tert-butylphenyl)methyl]piperazine Traditional Name: 1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-(4-tert-butylbenzyl)piperazine Formula: C22H29BrN2O3S MolecularWeight: 481.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H29BrN2O3S/c1-22(2,3)18-7-5-17(6-8-18)16-24-11-13-25(14-12-24)29(26,27)21-15-19(23)9-10-20(21)28-4/h5-10,15H,11-14,16H2,1-4H3