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

Systemtic Name: butyl 4-[2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid butyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-4-5-14-30-22(27)18-6-10-19(11-7-18)23-21(26)15-24(3)31(28,29)20-12-8-17(9-13-20)16(2)25/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)