methyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O6S2/c1-29-17-7-5-14(13-20(17)32(27,28)24-9-3-4-10-24)21(25)23-16-6-8-18-15(11-16)12-19(31-18)22(26)30-2/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,25)