N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(1,3-dithian-2-yl)benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(1,3-dithian-2-yl)benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(1,3-dithian-2-yl)benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(1,3-dithian-2-yl)benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(1,3-dithian-2-yl)benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H23N3O3S3/c25-20(15-7-9-16(10-8-15)21-28-12-3-13-29-21)23-17-4-1-5-18(14-17)30(26,27)24-19-6-2-11-22-19/h1,4-5,7-10,14,21H,2-3,6,11-13H2,(H,22,24)(H,23,25)