methyl 3-[2-[3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H25N3O5S/c1-28-18-23(35(32,33)29-13-3-4-14-29)17-24(28)25(30)27-22-10-6-8-20(16-22)12-11-19-7-5-9-21(15-19)26(31)34-2/h5-10,15-18H,3-4,13-14H2,1-2H3,(H,27,30)