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

Systemtic Name: (E)-N-[(3-chlorophenyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-[(3-chlorophenyl)methyl]-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-[(3-chlorophenyl)methyl]-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-[(3-chlorophenyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-chlorobenzyl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O4S/c1-29-20-10-8-17(15-21(20)30(27,28)25-12-3-2-4-13-25)9-11-22(26)24-16-18-6-5-7-19(23)14-18/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,24,26)/b11-9+