N-(3-fluoranyl-4-methyl-phenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)F)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)F)OC

InChI

InChI=1S/C21H25FN2O4S/c1-14-7-9-17(13-18(14)22)23-21(25)16-8-10-19(28-3)20(12-16)29(26,27)24-11-5-4-6-15(24)2/h7-10,12-13,15H,4-6,11H2,1-3H3,(H,23,25)/t15-/m0/s1