butyl 4-[2-[(5-chloranyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-chloranyl-2-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-chloro-2-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-chloro-2-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C22H27ClN2O6S MolecularWeight: 482.97758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)Cl)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=CC(=C2)Cl)OCC

InChI

InChI=1S/C22H27ClN2O6S/c1-4-6-13-31-22(27)16-7-10-18(11-8-16)24-21(26)15-25(3)32(28,29)20-14-17(23)9-12-19(20)30-5-2/h7-12,14H,4-6,13,15H2,1-3H3,(H,24,26)