2-[3-azanyl-5-(phenylmethyl)-2-pyridin-2-ylsulfonyl-pyridin-4-yl]butanoic acid

Systemtic Name: 2-[3-azanyl-5-(phenylmethyl)-2-pyridin-2-ylsulfonyl-pyridin-4-yl]butanoic acid Openeye Name: 2-[3-amino-5-benzyl-2-(2-pyridylsulfonyl)-4-pyridyl]butanoic acid CAS Name: 2-[3-amino-5-(phenylmethyl)-2-(2-pyridinylsulfonyl)-4-pyridinyl]butanoic acid IUPAC Name: 2-(3-amino-5-benzyl-2-pyridin-2-ylsulfonylpyridin-4-yl)butanoic acid Traditional Name: 2-[3-amino-5-benzyl-2-(2-pyridylsulfonyl)-4-pyridyl]butyric acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=NC=C1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=N3)N)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=NC=C1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=N3)N)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-2-16(21(25)26)18-15(12-14-8-4-3-5-9-14)13-24-20(19(18)22)29(27,28)17-10-6-7-11-23-17/h3-11,13,16H,2,12,22H2,1H3,(H,25,26)