3-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-yl-methyl]benzenesulfonamide

Systemtic Name: 3-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-yl-methyl]benzenesulfonamide Openeye Name: 3-methylsulfonyl-N-[(4-propylphenyl)-(2-thienyl)methyl]benzenesulfonamide CAS Name: 3-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide IUPAC Name: 3-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide Traditional Name: 3-mesyl-N-[(4-propylphenyl)-(2-thienyl)methyl]benzenesulfonamide Formula: C21H23NO4S3 MolecularWeight: 449.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO4S3/c1-3-6-16-10-12-17(13-11-16)21(20-9-5-14-27-20)22-29(25,26)19-8-4-7-18(15-19)28(2,23)24/h4-5,7-15,21-22H,3,6H2,1-2H3