N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-3,4-dimethoxy-benzamide Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H21FN2O5S/c1-29-19-10-5-15(12-20(19)30-2)22(26)25-14-21(16-4-3-11-24-13-16)31(27,28)18-8-6-17(23)7-9-18/h3-13,21H,14H2,1-2H3,(H,25,26)/t21-/m1/s1