3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butanoic acid

Systemtic Name: 3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butanoic acid Openeye Name: 3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butanoic acid CAS Name: 3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butanoic acid IUPAC Name: 3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butanoic acid Traditional Name: 3-methyl-2-[(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonylmethyl]butyric acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO4S/c1-15(2)20(21(23)24)14-27(25,26)22-11-10-18-12-17(8-9-19(18)13-22)16-6-4-3-5-7-16/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,23,24)