ethyl 4-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C19H22BrN3O5S2 MolecularWeight: 516.42908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrN3O5S2/c1-2-28-19(25)14-3-5-15(6-4-14)21-17(24)13-22-9-11-23(12-10-22)30(26,27)18-8-7-16(20)29-18/h3-8H,2,9-13H2,1H3,(H,21,24)