3-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: 3-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Openeye Name: 3-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-[5-(1-piperidylsulfonyl)-2-thienyl]prop-2-enoic acid CAS Name: 3-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: 3-[4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid Traditional Name: 3-[4-(4-carbomethoxybenzyl)oxyphenyl]-2-(5-piperidinosulfonyl-2-thienyl)acrylic acid Formula: C27H27NO7S2 MolecularWeight: 541.63578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C3=CC=C(S3)S(=O)(=O)N4CCCCC4)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C3=CC=C(S3)S(=O)(=O)N4CCCCC4)C(=O)O

InChI

InChI=1S/C27H27NO7S2/c1-34-27(31)21-9-5-20(6-10-21)18-35-22-11-7-19(8-12-22)17-23(26(29)30)24-13-14-25(36-24)37(32,33)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3,(H,29,30)