2-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]carbamoyl]benzoic acid Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H29N3O5S/c35-30(27-13-7-8-14-28(27)31(36)37)32-25-15-17-26(18-16-25)40(38,39)34-21-19-33(20-22-34)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2,(H,32,35)(H,36,37)