4-(azetidin-3-yl)-2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]butanoic acid

Systemtic Name: 4-(azetidin-3-yl)-2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]butanoic acid Openeye Name: 4-(azetidin-3-yl)-2-[1-(p-tolylsulfonyl)imidazol-4-yl]butanoic acid CAS Name: 4-(3-azetidinyl)-2-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]butanoic acid IUPAC Name: 4-(azetidin-3-yl)-2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]butanoic acid Traditional Name: 4-(azetidin-3-yl)-2-(1-tosylimidazol-4-yl)butyric acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(CCC3CNC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(CCC3CNC3)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-12-2-5-14(6-3-12)25(23,24)20-10-16(19-11-20)15(17(21)22)7-4-13-8-18-9-13/h2-3,5-6,10-11,13,15,18H,4,7-9H2,1H3,(H,21,22)