methyl 5-[2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-(azepan-1-ylsulfonyl)phenoxy]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-(1-azepanylsulfonyl)phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-(azepan-1-ylsulfonyl)phenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[4-(azepan-1-ylsulfonyl)phenoxy]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H26N2O6S2 MolecularWeight: 502.60304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O6S2/c1-31-24(28)22-15-17-14-18(6-11-21(17)33-22)25-23(27)16-32-19-7-9-20(10-8-19)34(29,30)26-12-4-2-3-5-13-26/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,25,27)