ethyl 3-bromanyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)sulfonyl-3-bromo-benzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)sulfonyl-3-bromobenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonyl-3-bromo-benzoic acid ethyl ester Formula: C15H19BrN2O5S MolecularWeight: 419.29076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O5S/c1-3-23-15(20)12-4-5-14(13(16)10-12)24(21,22)18-8-6-17(7-9-18)11(2)19/h4-5,10H,3,6-9H2,1-2H3