cyanomethyl 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylate

Systemtic Name: cyanomethyl 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: cyanomethyl 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]-3-pyrrolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2,5-dimethyl-1-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(4-sulfamoylbenzyl)pyrrole-3-carboxylic acid cyanomethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)OCC#N

InChI

InChI=1S/C16H17N3O4S/c1-11-9-15(16(20)23-8-7-17)12(2)19(11)10-13-3-5-14(6-4-13)24(18,21)22/h3-6,9H,8,10H2,1-2H3,(H2,18,21,22)