methyl 5-[2-[(4-fluorophenyl)methyl-(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-fluorophenyl)methyl-(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[besyl-(4-fluorobenzyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H21FN2O5S2 MolecularWeight: 512.573043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O5S2/c1-33-25(30)23-14-18-13-20(11-12-22(18)34-23)27-24(29)16-28(15-17-7-9-19(26)10-8-17)35(31,32)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,27,29)