[3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-methyl-amino]-2-(6-chloranylpyridin-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-chloranyl-3-methyl-phenyl)sulfonyl-methyl-amino]-2-(6-chloranylpyridin-2-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]-2-(6-chloro-2-pyridyl)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]-2-(6-chloro-2-pyridinyl)-2-hydroxypropyl] ester IUPAC Name: [3-[(4-chloro-3-methylphenyl)sulfonyl-methylamino]-2-(6-chloropyridin-2-yl)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(4-chloro-3-methyl-phenyl)sulfonyl-methyl-amino]-2-(6-chloro-2-pyridyl)-2-hydroxy-propyl] ester Formula: C23H24Cl2N2O6S2 MolecularWeight: 559.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C)(C3=NC(=CC=C3)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)C)(C3=NC(=CC=C3)Cl)O

InChI

InChI=1S/C23H24Cl2N2O6S2/c1-16-7-9-18(10-8-16)35(31,32)33-15-23(28,21-5-4-6-22(25)26-21)14-27(3)34(29,30)19-11-12-20(24)17(2)13-19/h4-13,28H,14-15H2,1-3H3