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2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxylic acid

2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxylic acid

Systemtic Name:2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxylic acid
Openeye Name:2-[[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]indane-2-carboxylic acid
CAS Name:2-[[4-[4-(3-methoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-1,3-dihydroindene-2-carboxylic acid
IUPAC Name:2-[4-[4-(3-methoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxylic acid
Traditional Name:2-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidino]sulfonylindane-2-carboxylic acid
Formula: C29H31NO5S
MolecularWeight: 505.62514
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CC4=CC=CC=C4C3)C(=O)O)C5=CC(=CC=C5)OC


Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CC4=CC=CC=C4C3)C(=O)O)C5=CC(=CC=C5)OC


InChI

InChI=1S/C29H31NO5S/c1-20-16-22(10-11-27(20)23-8-5-9-26(17-23)35-2)21-12-14-30(15-13-21)36(33,34)29(28(31)32)18-24-6-3-4-7-25(24)19-29/h3-11,16-17,21H,12-15,18-19H2,1-2H3,(H,31,32)


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