N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[[(2,4-dimethylphenyl)thio]methyl]benzamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCC4)C

InChI

InChI=1S/C26H27N3O3S2/c1-18-11-12-24(19(2)14-18)33-17-20-6-3-7-21(15-20)26(30)28-22-8-4-9-23(16-22)34(31,32)29-25-10-5-13-27-25/h3-4,6-9,11-12,14-16H,5,10,13,17H2,1-2H3,(H,27,29)(H,28,30)