methyl 3-[[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 3-[[[3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 3-[[3-[(4-besylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5S/c1-34-26(31)22-9-6-10-23(18-22)27-25(30)21-8-5-7-20(17-21)19-28-13-15-29(16-14-28)35(32,33)24-11-3-2-4-12-24/h2-12,17-18H,13-16,19H2,1H3,(H,27,30)