2-[[(3,4-dichlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid

Systemtic Name: 2-[[(3,4-dichlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-piperidin-1-ylcarbonyl-hexanoic acid Openeye Name: 2-[[(3,4-dichlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid CAS Name: 2-[[(3,4-dichlorophenyl)sulfonyl-methylamino]methyl]-5-methyl-2-[oxo(1-piperidinyl)methyl]hexanoic acid IUPAC Name: 2-[[(3,4-dichlorophenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Traditional Name: 2-[[(3,4-dichlorophenyl)sulfonyl-methyl-amino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid Formula: C21H30Cl2N2O5S MolecularWeight: 493.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)(C(=O)N2CCCCC2)C(=O)O

Isomeric SMILES

CC(C)CCC(CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)(C(=O)N2CCCCC2)C(=O)O

InChI

InChI=1S/C21H30Cl2N2O5S/c1-15(2)9-10-21(20(27)28,19(26)25-11-5-4-6-12-25)14-24(3)31(29,30)16-7-8-17(22)18(23)13-16/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,27,28)