(4-nitrophenyl)methyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid (4-nitrobenzyl) ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H24N2O7S/c1-30-20-11-7-17(15-21(20)32(28,29)23-13-3-2-4-14-23)8-12-22(25)31-16-18-5-9-19(10-6-18)24(26)27/h5-12,15H,2-4,13-14,16H2,1H3/b12-8+