N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-pyrrolidinosulfonyl-N-[2-(2-thienyl)-2-tosyl-ethyl]benzamide Formula: C24H26N2O5S3 MolecularWeight: 518.66864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C24H26N2O5S3/c1-18-6-10-20(11-7-18)33(28,29)23(22-5-4-16-32-22)17-25-24(27)19-8-12-21(13-9-19)34(30,31)26-14-2-3-15-26/h4-13,16,23H,2-3,14-15,17H2,1H3,(H,25,27)