methyl 4-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzylpiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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