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

Systemtic Name: 2-(4-aminophenyl)sulfonyl-1-ethanoyl-3-methyl-4-[(2-methylphenyl)methoxy]piperazine-2-carboxylic acid Openeye Name: 1-acetyl-2-(4-aminophenyl)sulfonyl-3-methyl-4-(o-tolylmethoxy)piperazine-2-carboxylic acid CAS Name: 1-acetyl-2-(4-aminophenyl)sulfonyl-3-methyl-4-[(2-methylphenyl)methoxy]-2-piperazinecarboxylic acid IUPAC Name: 1-acetyl-2-(4-aminophenyl)sulfonyl-3-methyl-4-[(2-methylphenyl)methoxy]piperazine-2-carboxylic acid Traditional Name: 1-acetyl-3-methyl-4-(2-methylbenzyl)oxy-2-sulfanilyl-piperazine-2-carboxylic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1OCC2=CC=CC=C2C)C(=O)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC1C(N(CCN1OCC2=CC=CC=C2C)C(=O)C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H27N3O6S/c1-15-6-4-5-7-18(15)14-31-25-13-12-24(17(3)26)22(16(25)2,21(27)28)32(29,30)20-10-8-19(23)9-11-20/h4-11,16H,12-14,23H2,1-3H3,(H,27,28)