methyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-pyrrolidinosulfonylbenzoyl)amino]benzothiophene-3-carboxylic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20N2O5S2/c1-28-21(25)18-16-6-2-3-7-17(16)29-20(18)22-19(24)14-8-10-15(11-9-14)30(26,27)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3,(H,22,24)