methyl 5-[2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(phenylmethyl)-(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzenesulfonyl(benzyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[benzenesulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzenesulfonyl(benzyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(besyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S2/c1-32-25(29)23-15-19-14-20(12-13-22(19)33-23)26-24(28)17-27(16-18-8-4-2-5-9-18)34(30,31)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,26,28)