ethyl 3-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C16H17ClN2O5S2 MolecularWeight: 416.89958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H17ClN2O5S2/c1-3-24-16(21)11-5-4-6-12(9-11)18-14(20)10-19(2)26(22,23)15-8-7-13(17)25-15/h4-9H,3,10H2,1-2H3,(H,18,20)