(4-cyanophenyl)methyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (4-cyanophenyl)methyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (4-cyanophenyl)methyl 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O5S/c1-16(24)19-9-11-20(12-10-19)29(26,27)23(2)13-3-4-21(25)28-15-18-7-5-17(14-22)6-8-18/h5-12H,3-4,13,15H2,1-2H3