2-[3-[1-azanyl-5-(3-chlorophenyl)-1-methylsulfonyl-pentyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-azanyl-5-(3-chlorophenyl)-1-methylsulfonyl-pentyl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-amino-5-(3-chlorophenyl)-1-methylsulfonyl-pentyl]phenyl]acetic acid CAS Name: 2-[3-[1-amino-5-(3-chlorophenyl)-1-methylsulfonylpentyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-amino-5-(3-chlorophenyl)-1-methylsulfonylpentyl]phenyl]acetic acid Traditional Name: 2-[3-[1-amino-5-(3-chlorophenyl)-1-mesyl-pentyl]phenyl]acetic acid Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CCCCC1=CC(=CC=C1)Cl)(C2=CC=CC(=C2)CC(=O)O)N

Isomeric SMILES

CS(=O)(=O)C(CCCCC1=CC(=CC=C1)Cl)(C2=CC=CC(=C2)CC(=O)O)N

InChI

InChI=1S/C20H24ClNO4S/c1-27(25,26)20(22,17-9-4-8-16(12-17)14-19(23)24)11-3-2-6-15-7-5-10-18(21)13-15/h4-5,7-10,12-13H,2-3,6,11,14,22H2,1H3,(H,23,24)