N-[1-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]-4-piperidyl]methanesulfonamide CAS Name: N-[1-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]-4-piperidyl]methanesulfonamide Formula: C16H21FN2O4S MolecularWeight: 356.412343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)NS(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)NS(=O)(=O)C)F

InChI

InChI=1S/C16H21FN2O4S/c1-23-15-5-3-12(11-14(15)17)4-6-16(20)19-9-7-13(8-10-19)18-24(2,21)22/h3-6,11,13,18H,7-10H2,1-2H3/b6-4+