4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazine-2-carboxylic acid Formula: C25H21ClN4O5S2 MolecularWeight: 557.04104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3C(=O)O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN4O5S2/c1-15-22(36-23(28-15)16-6-8-27-9-7-16)24(31)30-11-10-29(14-21(30)25(32)33)37(34,35)20-5-3-17-12-19(26)4-2-18(17)13-20/h2-9,12-13,21H,10-11,14H2,1H3,(H,32,33)