(E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-fluorophenyl)acrylamide Formula: C22H25FN2O4S MolecularWeight: 432.508303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O4S/c1-29-21-12-11-19(30(27,28)25-14-4-2-3-5-15-25)16-20(21)24-22(26)13-8-17-6-9-18(23)10-7-17/h6-13,16H,2-5,14-15H2,1H3,(H,24,26)/b13-8+