[1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenyl-ethenyl]piperidin-4-yl] prop-2-enoate

Systemtic Name: [1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenyl-ethenyl]piperidin-4-yl] prop-2-enoate Openeye Name: [1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenyl-vinyl]-4-piperidyl] prop-2-enoate CAS Name: 2-propenoic acid [1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenylethenyl]-4-piperidinyl] ester IUPAC Name: [1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenylethenyl]piperidin-4-yl] prop-2-enoate Traditional Name: acrylic acid [1-[(E)-2-[4-(2-methylbutylsulfonyl)phenyl]-1-phenyl-vinyl]-4-piperidyl] ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CS(=O)(=O)C1=CC=C(C=C1)C=C(C2=CC=CC=C2)N3CCC(CC3)OC(=O)C=C

Isomeric SMILES

CCC(C)CS(=O)(=O)C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/N3CCC(CC3)OC(=O)C=C

InChI

InChI=1S/C27H33NO4S/c1-4-21(3)20-33(30,31)25-13-11-22(12-14-25)19-26(23-9-7-6-8-10-23)28-17-15-24(16-18-28)32-27(29)5-2/h5-14,19,21,24H,2,4,15-18,20H2,1,3H3/b26-19+