methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-tosylprolyl)amino]benzothiophene-3-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H22N2O5S2/c1-14-9-11-15(12-10-14)31(27,28)24-13-5-7-17(24)20(25)23-21-19(22(26)29-2)16-6-3-4-8-18(16)30-21/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H,23,25)