4-(2-azanylethanoyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(2-azanylethanoyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-(2-aminoacetyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-(2-amino-1-oxoethyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-(2-aminoacetyl)-1-(4-but-2-ynoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-glycyl-piperazine-2-carboxylic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)CN

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)CN

InChI

InChI=1S/C17H21N3O6S/c1-2-3-10-26-13-4-6-14(7-5-13)27(24,25)20-9-8-19(16(21)11-18)12-15(20)17(22)23/h4-7,15H,8-12,18H2,1H3,(H,22,23)