[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H23N3O5S/c1-17-18(2)27(19-9-5-3-6-10-19)24(21(17)15-25)26-22(28)16-32-23(29)13-14-33(30,31)20-11-7-4-8-12-20/h3-12H,13-14,16H2,1-2H3,(H,26,28)