2-azanyl-3-(3-chlorophenyl)-2-methylsulfonyl-3-propyl-heptanoic acid

Systemtic Name: 2-azanyl-3-(3-chlorophenyl)-2-methylsulfonyl-3-propyl-heptanoic acid Openeye Name: 2-amino-3-(3-chlorophenyl)-2-methylsulfonyl-3-propyl-heptanoic acid CAS Name: 2-amino-3-(3-chlorophenyl)-2-methylsulfonyl-3-propylheptanoic acid IUPAC Name: 2-amino-3-(3-chlorophenyl)-2-methylsulfonyl-3-propylheptanoic acid Traditional Name: 2-amino-3-(3-chlorophenyl)-2-mesyl-3-propyl-enanthic acid Formula: C17H26ClNO4S MolecularWeight: 375.91064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO4S/c1-4-6-11-16(10-5-2,13-8-7-9-14(18)12-13)17(19,15(20)21)24(3,22)23/h7-9,12H,4-6,10-11,19H2,1-3H3,(H,20,21)