1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-(2,5-dimethoxybenzyl)piperazine Formula: C20H25BrN2O4S MolecularWeight: 469.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O4S/c1-15-12-18(5-6-19(15)21)28(24,25)23-10-8-22(9-11-23)14-16-13-17(26-2)4-7-20(16)27-3/h4-7,12-13H,8-11,14H2,1-3H3