4-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Openeye Name: 4-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 4-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 4-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 4-[4-(2-ethylbenzyl)oxyphenyl]sulfonyl-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(C(C3C(=O)O)C)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(C(C3C(=O)O)C)C(=O)O

InChI

InChI=1S/C22H26N2O7S/c1-3-16-6-4-5-7-17(16)14-31-18-8-10-19(11-9-18)32(29,30)24-13-12-23(22(27)28)15(2)20(24)21(25)26/h4-11,15,20H,3,12-14H2,1-2H3,(H,25,26)(H,27,28)