N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: 2,5-dimethyl-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C18H21N3O4S2/c1-13-8-9-14(2)17(11-13)27(24,25)20-15-5-3-6-16(12-15)26(22,23)21-18-7-4-10-19-18/h3,5-6,8-9,11-12,20H,4,7,10H2,1-2H3,(H,19,21)