[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-cyanobenzenesulfonate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-cyanobenzenesulfonate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H17N3O4S/c1-14-7-8-15(2)23(14)22-20(24)16-9-11-18(12-10-16)27-28(25,26)19-6-4-3-5-17(19)13-21/h3-12H,1-2H3,(H,22,24)