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

Systemtic Name: (2-cyanophenyl)methyl 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (2-cyanophenyl)methyl 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric acid (2-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=CC=C2C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H22N2O5S/c1-16(24)17-9-11-20(12-10-17)29(26,27)23(2)13-5-8-21(25)28-15-19-7-4-3-6-18(19)14-22/h3-4,6-7,9-12H,5,8,13,15H2,1-2H3