4-[4-(diphenylmethyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-3-(methanesulfonamido)benzoic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-3-(methanesulfonamido)benzoic acid Traditional Name: 4-(4-benzhydrylpiperazino)-3-(methanesulfonamido)benzoic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-33(31,32)26-22-18-21(25(29)30)12-13-23(22)27-14-16-28(17-15-27)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,26H,14-17H2,1H3,(H,29,30)