2-[4-(diphenylmethyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-(4-benzhydrylpiperazino)-5-(2-thenoylamino)benzoic acid Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c33-28(26-12-7-19-36-26)30-23-13-14-25(24(20-23)29(34)35)31-15-17-32(18-16-31)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-14,19-20,27H,15-18H2,(H,30,33)(H,34,35)