1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-methylsulfonyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-4-methylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-mesyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O7S2/c1-15-5-3-4-6-16(15)14-29-17-7-9-18(10-8-17)31(27,28)22-12-11-21(30(2,25)26)13-19(22)20(23)24/h3-10,19H,11-14H2,1-2H3,(H,23,24)