2-chloranyl-5-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-chlorobenzoic acid Traditional Name: 5-(4-benzhydrylpiperazino)sulfonyl-2-chloro-benzoic acid Formula: C24H23ClN2O4S MolecularWeight: 470.96842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H23ClN2O4S/c25-22-12-11-20(17-21(22)24(28)29)32(30,31)27-15-13-26(14-16-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,28,29)