2-[2-cyanoethyl-[4-methanoyl-3-(phenylsulfonylamino)phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-cyanoethyl-[4-methanoyl-3-(phenylsulfonylamino)phenyl]amino]ethyl ethanoate Openeye Name: 2-[3-(benzenesulfonamido)-N-(2-cyanoethyl)-4-formyl-anilino]ethyl acetate CAS Name: acetic acid 2-[3-(benzenesulfonamido)-N-(2-cyanoethyl)-4-formylanilino]ethyl ester IUPAC Name: 2-[3-(benzenesulfonamido)-N-(2-cyanoethyl)-4-formylanilino]ethyl acetate Traditional Name: acetic acid 2-[3-(benzenesulfonamido)-N-(2-cyanoethyl)-4-formyl-anilino]ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC(=C(C=C1)C=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC(=C(C=C1)C=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-16(25)28-13-12-23(11-5-10-21)18-9-8-17(15-24)20(14-18)22-29(26,27)19-6-3-2-4-7-19/h2-4,6-9,14-15,22H,5,11-13H2,1H3