methyl 5-[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H30N2O7S2 MolecularWeight: 546.6556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C4CCCCC4)OC

InChI

InChI=1S/C26H30N2O7S2/c1-33-21-11-10-20(15-22(21)34-2)37(31,32)28(19-7-5-4-6-8-19)16-25(29)27-18-9-12-23-17(13-18)14-24(36-23)26(30)35-3/h9-15,19H,4-8,16H2,1-3H3,(H,27,29)