3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-(3-pyridylmethyl)acrylamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-28-19-9-7-17(8-10-21(25)23-16-18-6-5-11-22-15-18)14-20(19)29(26,27)24-12-3-2-4-13-24/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,23,25)