3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoic acid Openeye Name: 3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoic acid CAS Name: 3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoic acid Traditional Name: 3-(3-cyanophenyl)-2-[(2-propyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propionic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CCCN1CCC2=C(C1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-2-9-25-10-8-18-6-7-20(13-19(18)15-25)30(28,29)24-21(22(26)27)12-16-4-3-5-17(11-16)14-23/h3-7,11,13,21,24H,2,8-10,12,15H2,1H3,(H,26,27)