1-(4-but-2-ynoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine-2-carboxylic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-2-3-13-29-18-6-8-19(9-7-18)30(27,28)24-12-11-23(16-20(24)21(25)26)15-17-5-4-10-22-14-17/h4-10,14,20H,11-13,15-16H2,1H3,(H,25,26)