(3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[2-(4-phenylphenyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H23NO4S/c26-24(27)23-16-21-8-4-5-9-22(21)17-25(23)30(28,29)15-14-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,23H,14-17H2,(H,26,27)/t23-/m1/s1