3-cyanopropyl 2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: 3-cyanopropyl 2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate CAS Name: 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetic acid 3-cyanopropyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCCCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCCCC#N)C

InChI

InChI=1S/C16H21N3O5S/c1-12-5-6-14(9-13(12)2)25(22,23)19-10-15(20)18-11-16(21)24-8-4-3-7-17/h5-6,9,19H,3-4,8,10-11H2,1-2H3,(H,18,20)