1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(3-chloro-4-methoxy-phenyl)sulfonyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C17H17ClF3N3O3S MolecularWeight: 435.84839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O3S/c1-27-15-4-3-13(10-14(15)18)28(25,26)24-8-6-23(7-9-24)16-5-2-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3