ethyl 2-[(3-bromophenyl)amino]-4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butanoate

Systemtic Name: ethyl 2-[(3-bromophenyl)amino]-4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butanoate Openeye Name: ethyl 2-(3-bromoanilino)-4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butanoate CAS Name: 2-(3-bromoanilino)-4-[(5-cyano-2-methoxyphenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3-bromoanilino)-4-[(5-cyano-2-methoxyphenyl)sulfonylamino]butanoate Traditional Name: 2-(3-bromoanilino)-4-[(5-cyano-2-methoxy-phenyl)sulfonylamino]butyric acid ethyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNS(=O)(=O)C1=C(C=CC(=C1)C#N)OC)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C(CCNS(=O)(=O)C1=C(C=CC(=C1)C#N)OC)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-3-29-20(25)17(24-16-6-4-5-15(21)12-16)9-10-23-30(26,27)19-11-14(13-22)7-8-18(19)28-2/h4-8,11-12,17,23-24H,3,9-10H2,1-2H3