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

Systemtic Name: 4-(2-azanylethanoyl)-1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-piperazine-2-carboxylic acid Openeye Name: 4-(2-aminoacetyl)-1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-piperazine-2-carboxylic acid CAS Name: 4-(2-amino-1-oxoethyl)-1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-(2-aminoacetyl)-1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-2-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(2-ethylbenzyl)oxyphenyl]sulfonyl-4-glycyl-2-methyl-piperazine-2-carboxylic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3(C)C(=O)O)C(=O)CN

Isomeric SMILES

CCC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3(C)C(=O)O)C(=O)CN

InChI

InChI=1S/C23H29N3O6S/c1-3-17-6-4-5-7-18(17)15-32-19-8-10-20(11-9-19)33(30,31)26-13-12-25(21(27)14-24)16-23(26,2)22(28)29/h4-11H,3,12-16,24H2,1-2H3,(H,28,29)