ethyl 3-bromanyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoate CAS Name: 3-bromo-4-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-(4-p-anisylpiperazino)sulfonyl-benzoic acid ethyl ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5S/c1-3-29-21(25)17-6-9-20(19(22)14-17)30(26,27)24-12-10-23(11-13-24)15-16-4-7-18(28-2)8-5-16/h4-9,14H,3,10-13,15H2,1-2H3