(3R)-7-azanyl-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-7-azanyl-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-7-amino-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-7-amino-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-7-amino-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-7-amino-2-(4-phenoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)N)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=C1C=CC(=C2)N)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N2O5S/c23-17-7-6-15-13-21(22(25)26)24(14-16(15)12-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-12,21H,13-14,23H2,(H,25,26)/t21-/m1/s1