4-[[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(p-tolylsulfonyl)piperazine-1-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-tosylpiperazine-1-carbonyl)amino]methyl]benzoic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H23N3O5S/c1-15-2-8-18(9-3-15)29(27,28)23-12-10-22(11-13-23)20(26)21-14-16-4-6-17(7-5-16)19(24)25/h2-9H,10-14H2,1H3,(H,21,26)(H,24,25)