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

Systemtic Name: N-[1-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]-4-piperidyl]thiophene-2-sulfonamide Formula: C19H21FN2O4S2 MolecularWeight: 424.509443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CS3)F

InChI

InChI=1S/C19H21FN2O4S2/c1-26-17-6-4-14(13-16(17)20)5-7-18(23)22-10-8-15(9-11-22)21-28(24,25)19-3-2-12-27-19/h2-7,12-13,15,21H,8-11H2,1H3/b7-5+