(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enamide Traditional Name: (E)-N-[3-[(2-ketopyrrolidino)methyl]phenyl]-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC(=C2)CN3CCCC3=O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC(=C2)CN3CCCC3=O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H31N3O5S/c1-34-23-12-10-20(18-24(23)35(32,33)29-15-3-2-4-16-29)11-13-25(30)27-22-8-5-7-21(17-22)19-28-14-6-9-26(28)31/h5,7-8,10-13,17-18H,2-4,6,9,14-16,19H2,1H3,(H,27,30)/b13-11+