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

Systemtic Name: (3-nitrophenyl) 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: (3-nitrophenyl) 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid (3-nitrophenyl) ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22N2O7S/c1-29-19-10-8-16(14-20(19)31(27,28)22-12-3-2-4-13-22)9-11-21(24)30-18-7-5-6-17(15-18)23(25)26/h5-11,14-15H,2-4,12-13H2,1H3