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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(4-benzhydrylpiperazino)sulfonyl-4-methyl-benzoic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-19-12-13-22(25(28)29)18-23(19)32(30,31)27-16-14-26(15-17-27)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3,(H,28,29)