butyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[ethyl(p-phenetylsulfonyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S/c1-4-7-16-31-23(27)18-8-10-19(11-9-18)24-22(26)17-25(5-2)32(28,29)21-14-12-20(13-15-21)30-6-3/h8-15H,4-7,16-17H2,1-3H3,(H,24,26)