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

Systemtic Name: 6-(2-diethylaminoethyloxy)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 6-(2-diethylaminoethyloxy)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 6-(2-diethylaminoethyloxy)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 6-(2-diethylaminoethyloxy)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 6-(2-diethylaminoethyloxy)-2-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC2=C(C=C1)C(N(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=CC2=C(C=C1)C(N(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C29H34N2O7S/c1-4-30(5-2)18-19-37-25-12-15-27-21(20-25)16-17-31(28(27)29(32)33)39(34,35)26-13-10-24(11-14-26)38-23-8-6-22(36-3)7-9-23/h6-15,20,28H,4-5,16-19H2,1-3H3,(H,32,33)