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

Systemtic Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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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)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O6S2/c1-31-19-9-7-16(15-22(19)34(29,30)26-11-5-3-4-6-12-26)23(27)25-18-8-10-20-17(13-18)14-21(33-20)24(28)32-2/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,25,27)