ethyl 1,2,5-trimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[3-(1-pyrrolidinylmethyl)phenyl]sulfamoyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]pyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[[3-(pyrrolidinomethyl)phenyl]sulfamoyl]pyrrole-3-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=CC=CC(=C2)CN3CCCC3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)NC2=CC=CC(=C2)CN3CCCC3)C)C)C

InChI

InChI=1S/C21H29N3O4S/c1-5-28-21(25)19-15(2)23(4)16(3)20(19)29(26,27)22-18-10-8-9-17(13-18)14-24-11-6-7-12-24/h8-10,13,22H,5-7,11-12,14H2,1-4H3