7-(3-methoxyphenyl)-3-(3-methylphenyl)-3-piperidin-1-ylsulfonyl-1,2-dihydroindene-2-carboxylic acid

Systemtic Name: 7-(3-methoxyphenyl)-3-(3-methylphenyl)-3-piperidin-1-ylsulfonyl-1,2-dihydroindene-2-carboxylic acid Openeye Name: 4-(3-methoxyphenyl)-1-(m-tolyl)-1-(1-piperidylsulfonyl)indane-2-carboxylic acid CAS Name: 7-(3-methoxyphenyl)-3-(3-methylphenyl)-3-(1-piperidinylsulfonyl)-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 7-(3-methoxyphenyl)-3-(3-methylphenyl)-3-piperidin-1-ylsulfonyl-1,2-dihydroindene-2-carboxylic acid Traditional Name: 4-(3-methoxyphenyl)-1-(m-tolyl)-1-piperidinosulfonyl-indane-2-carboxylic acid Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(C(CC3=C(C=CC=C32)C4=CC(=CC=C4)OC)C(=O)O)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2(C(CC3=C(C=CC=C32)C4=CC(=CC=C4)OC)C(=O)O)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H31NO5S/c1-20-9-6-11-22(17-20)29(36(33,34)30-15-4-3-5-16-30)26-14-8-13-24(25(26)19-27(29)28(31)32)21-10-7-12-23(18-21)35-2/h6-14,17-18,27H,3-5,15-16,19H2,1-2H3,(H,31,32)