methyl (E)-3-[3-methoxy-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-methoxy-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-methoxy-4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-methoxy-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-methoxy-4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]phenyl]acrylic acid methyl ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C=CC(=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)/C=C/C(=O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O8S/c1-16-5-4-12-24(15-16)34(29,30)18-8-10-20(19(14-18)25(27)28)33-21-9-6-17(13-22(21)31-2)7-11-23(26)32-3/h6-11,13-14,16H,4-5,12,15H2,1-3H3/b11-7+/t16-/m0/s1