1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine

Systemtic Name: 1-(4-bromanyl-2,5-dimethyl-phenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine Openeye Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine CAS Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine IUPAC Name: 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine Traditional Name: 1-(4-bromo-2,5-dimethyl-phenyl)sulfonyl-4-o-phenetyl-piperazine Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Br)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C)Br)C

InChI

InChI=1S/C20H25BrN2O3S/c1-4-26-19-8-6-5-7-18(19)22-9-11-23(12-10-22)27(24,25)20-14-15(2)17(21)13-16(20)3/h5-8,13-14H,4,9-12H2,1-3H3