N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]butane-1-sulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]butane-1-sulfonamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]butane-1-sulfonamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1-butanesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]butane-1-sulfonamide Traditional Name: N-[2-(2-thienyl)-2-tosyl-ethyl]butane-1-sulfonamide Formula: C17H23NO4S3 MolecularWeight: 401.56382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCS(=O)(=O)NCC(C1=CC=CS1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H23NO4S3/c1-3-4-12-24(19,20)18-13-17(16-6-5-11-23-16)25(21,22)15-9-7-14(2)8-10-15/h5-11,17-18H,3-4,12-13H2,1-2H3