2-(3-chloranyl-4-cyclopropylsulfonyl-phenyl)-3-(oxan-4-yl)propanoic acid

Systemtic Name: 2-(3-chloranyl-4-cyclopropylsulfonyl-phenyl)-3-(oxan-4-yl)propanoic acid Openeye Name: 2-(3-chloro-4-cyclopropylsulfonyl-phenyl)-3-tetrahydropyran-4-yl-propanoic acid CAS Name: 2-(3-chloro-4-cyclopropylsulfonylphenyl)-3-(4-oxanyl)propanoic acid IUPAC Name: 2-(3-chloro-4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid Traditional Name: 2-(3-chloro-4-cyclopropylsulfonyl-phenyl)-3-tetrahydropyran-4-yl-propionic acid Formula: C17H21ClO5S MolecularWeight: 372.86364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1S(=O)(=O)C2=C(C=C(C=C2)C(CC3CCOCC3)C(=O)O)Cl

Isomeric SMILES

C1CC1S(=O)(=O)C2=C(C=C(C=C2)C(CC3CCOCC3)C(=O)O)Cl

InChI

InChI=1S/C17H21ClO5S/c18-15-10-12(1-4-16(15)24(21,22)13-2-3-13)14(17(19)20)9-11-5-7-23-8-6-11/h1,4,10-11,13-14H,2-3,5-9H2,(H,19,20)