4-(2-azanylethanoyl)-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(2-azanylethanoyl)-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-(2-aminoacetyl)-3-methyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-(2-amino-1-oxoethyl)-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-(2-aminoacetyl)-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-glycyl-3-methyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)CN)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)CN)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C22H27N3O6S/c1-15-5-3-4-6-17(15)14-31-18-7-9-19(10-8-18)32(29,30)25-12-11-24(20(26)13-23)16(2)21(25)22(27)28/h3-10,16,21H,11-14,23H2,1-2H3,(H,27,28)