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

Systemtic Name: butyl 4-[2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[methyl(p-phenetylsulfonyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-4-6-15-30-22(26)17-7-9-18(10-8-17)23-21(25)16-24(3)31(27,28)20-13-11-19(12-14-20)29-5-2/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)