(3R)-7-azanyl-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-7-azanyl-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-7-amino-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-7-amino-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-7-amino-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-7-amino-2-[4-(3-methoxypropoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)N

Isomeric SMILES

COCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C[C@@H]2C(=O)O)C=CC(=C3)N

InChI

InChI=1S/C20H24N2O6S/c1-27-9-2-10-28-17-5-7-18(8-6-17)29(25,26)22-13-15-11-16(21)4-3-14(15)12-19(22)20(23)24/h3-8,11,19H,2,9-10,12-13,21H2,1H3,(H,23,24)/t19-/m1/s1