6-methoxy-5-phenylmethoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 6-methoxy-5-phenylmethoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Openeye Name: 5-benzyloxy-6-methoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid CAS Name: 6-methoxy-5-phenylmethoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid IUPAC Name: 6-methoxy-5-phenylmethoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Traditional Name: 5-benzoxy-6-methoxy-1-sulfonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=S(=O)=O)NC(C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=S(=O)=O)NC(C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO6S/c1-24-15-8-7-12-13(9-14(18(20)21)19-17(12)26(22)23)16(15)25-10-11-5-3-2-4-6-11/h2-8,14,19H,9-10H2,1H3,(H,20,21)