4-methyl-2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylethyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylethyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[p-tolylsulfonyl-[2-(p-tolylsulfonyl)ethyl]amino]pentanoic acid CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylethyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[tosyl(2-tosylethyl)amino]valeric acid Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN(C(CC(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN(C(CC(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29NO6S2/c1-16(2)15-21(22(24)25)23(31(28,29)20-11-7-18(4)8-12-20)13-14-30(26,27)19-9-5-17(3)6-10-19/h5-12,16,21H,13-15H2,1-4H3,(H,24,25)