(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C22H25F3N4O4S MolecularWeight: 498.51851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25F3N4O4S/c1-33-18-6-4-16(14-19(18)34(31,32)29-8-2-3-9-29)21(30)28-12-10-27(11-13-28)20-7-5-17(15-26-20)22(23,24)25/h4-7,14-15H,2-3,8-13H2,1H3