4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S3/c1-13-11-17(14(2)24(13)15-7-9-16(10-8-15)30(22,26)27)19(25)12-28-21-23-18-5-3-4-6-20(18)29-21/h3-11H,12H2,1-2H3,(H2,22,26,27)