(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-N-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-N-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-N-(4-nitrophenyl)acrylamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23N3O6S/c1-30-19-11-5-16(15-20(19)31(28,29)23-13-3-2-4-14-23)6-12-21(25)22-17-7-9-18(10-8-17)24(26)27/h5-12,15H,2-4,13-14H2,1H3,(H,22,25)/b12-6+