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

Systemtic Name: (E)-N-[(2-chlorophenyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-[(2-chlorophenyl)methyl]-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-[(2-chlorophenyl)methyl]-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-[(2-chlorophenyl)methyl]-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(2-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=C2Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O4S/c1-29-20-11-9-17(15-21(20)30(27,28)25-13-5-2-6-14-25)10-12-22(26)24-16-18-7-3-4-8-19(18)23/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,26)/b12-10+