2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-[2-(1-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-[2-(1-piperidinyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-(2-piperidin-1-ylethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-6-(2-piperidinoethoxy)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C30H34N2O7S MolecularWeight: 566.66516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N3CCC4=C(C3C(=O)O)C=CC(=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N3CCC4=C(C3C(=O)O)C=CC(=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H34N2O7S/c1-37-23-5-7-24(8-6-23)39-25-9-12-27(13-10-25)40(35,36)32-18-15-22-21-26(11-14-28(22)29(32)30(33)34)38-20-19-31-16-3-2-4-17-31/h5-14,21,29H,2-4,15-20H2,1H3,(H,33,34)