6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[3-[(2-mesyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperidino]nicotinic acid Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H31N3O5S/c1-33(30,31)27-13-10-19-15-22(6-4-21(19)17-27)32-14-2-3-18-8-11-26(12-9-18)23-7-5-20(16-25-23)24(28)29/h4-7,15-16,18H,2-3,8-14,17H2,1H3,(H,28,29)