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

Systemtic Name: ethyl 3-bromanyl-4-(4-phenylpiperazin-1-yl)sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-(4-phenylpiperazin-1-yl)sulfonyl-benzoate CAS Name: 3-bromo-4-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-4-(4-phenylpiperazino)sulfonyl-benzoic acid ethyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O4S/c1-2-26-19(23)15-8-9-18(17(20)14-15)27(24,25)22-12-10-21(11-13-22)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3