2-azanyl-3-(3-chloranyl-5-methoxy-phenoxy)-2-methylsulfonyl-3-propyl-heptanoic acid

Systemtic Name: 2-azanyl-3-(3-chloranyl-5-methoxy-phenoxy)-2-methylsulfonyl-3-propyl-heptanoic acid Openeye Name: 2-amino-3-(3-chloro-5-methoxy-phenoxy)-2-methylsulfonyl-3-propyl-heptanoic acid CAS Name: 2-amino-3-(3-chloro-5-methoxyphenoxy)-2-methylsulfonyl-3-propylheptanoic acid IUPAC Name: 2-amino-3-(3-chloro-5-methoxyphenoxy)-2-methylsulfonyl-3-propylheptanoic acid Traditional Name: 2-amino-3-(3-chloro-5-methoxy-phenoxy)-2-mesyl-3-propyl-enanthic acid Formula: C18H28ClNO6S MolecularWeight: 421.93602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)(C(C(=O)O)(N)S(=O)(=O)C)OC1=CC(=CC(=C1)OC)Cl

Isomeric SMILES

CCCCC(CCC)(C(C(=O)O)(N)S(=O)(=O)C)OC1=CC(=CC(=C1)OC)Cl

InChI

InChI=1S/C18H28ClNO6S/c1-5-7-9-17(8-6-2,18(20,16(21)22)27(4,23)24)26-15-11-13(19)10-14(12-15)25-3/h10-12H,5-9,20H2,1-4H3,(H,21,22)